SCHEMBL3962014

SCHEMBL3962014

CC(C)(CCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ATM Q13315 1/20 0.41
SLC6A2 P23975 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8683336 0.88 NPC1 (0.44) TAAR1ATMTDP1CYP2C19KIF11
SCHEMBL6546946 0.88 TAAR1 (0.45) TAAR1TDP1CYP2A6CYP1A2DRD2
SCHEMBL6286868 0.87 TAAR1 (0.48) TAAR1SLC6A2OPRM1DRD3
SCHEMBL846065 0.86 HSP90AA1 (0.41) TAAR1TDP1HTR2ASMN1; SMN2
SCHEMBL9587633 0.86 CYP1A2 (0.44) TAAR1SLC6A2SMN1; SMN2CYP1A2CYP2C9
SCHEMBL12815449 0.86 TAAR1 (0.39) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL3368788 0.83 TAAR1 (0.64) TAAR1ALDH1A1ALOX15CYP2C19MAPK1
SCHEMBL10599554 0.82 ALDH1A1 (0.42) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL5303777 0.81 MAPT (0.40) ALDH1A1HPGDALOX15ALOX12HSD17B10
SCHEMBL846142 0.80 FFAR1 (0.62) ALDH1A1SMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036790-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO. KGAA (DE) 2009-03-26 WO claimed
US-6018055-A MADE FROM A 1,3,5,7-TETRAOXO,2,6-DISUBSTITUTED,4,8-DI(NITRO OR HALO)BENZO(1,2-C:4,5-C')DIPYRROLE OF GIVEN FORMULA AND AN OPTIONALLY SUBSTITUTED AROMATIC RING, ALIPHATIC RING, OR HETEROAROMATIC RING DIOL; HEAT RESISTANT ENGINEERING PLASTIC KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-25 US claimed
EP-0652923-A4 LIQUID SCINTILLATION MEDIUM WITH A 1,2-DICUMYLETHANE SOLVENT. MIRSKY JEFFREY (US) 1995-10-11 EP claimed
EP-0652923-A1 LIQUID SCINTILLATION MEDIUM WITH A 1,2-DICUMYLETHANE SOLVENT MIRSKY, Jeffrey (US) 1995-05-17 EP claimed
WO-1994003552-A1 LIQUID SCINTILLATION MEDIUM WITH A 1,2-DICUMYLETHANE SOLVENT MIRSKY JEFFREY (US) 1994-02-17 WO claimed
US-5135679-A Lower vapor pressure, higher flash point, lower toxicity MIRSKY JEFFREY (US) 1992-08-04 US claimed
US-4390194-A DYE-PRECURSOR IN SOLVENT MIXTURE OF 1-METHYL-3-PHENYLINDANE AND A DIARYLALKANE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1983-06-28 US claimed
CN-107533878-B Electric insulating oil base oil for oil-filled electrical equipment, electric insulating oil containing same, and oil-filled electrical equipment 日新电机株式会社 2020-03-10 CN disclosed
CN-109553569-A Compound, display panel and display device 武汉天马微电子有限公司 2019-04-02 CN disclosed
CN-102334017-B Method for proving authenticity using naphthalocyanine compound, signal transduction method, polymer welding method, method for producing lithographic printing plate, printing ink, toner, heat-shielding material, and method for producing naphthalocya FUJIFILM CORP 2013-05-08 CN disclosed
CN-102334017-A Method for proving authenticity using naphthalocyanine compound, signal transduction method, polymer welding method, method for producing lithographic printing plate, printing ink, toner, heat-shielding material, and method for producing naphthalocya FUJIFILM CORP 2012-01-25 CN disclosed
WO-2009036790-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO. KGAA (DE) 2009-03-26 WO disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-4703124-A Process for introduction of styrenes in side chain of substituted aromatic compounds IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-10-27 US disclosed
EP-0230920-A2 Fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-08-05 EP disclosed
US-4684754-A DECAHYDRONAPHTHALENE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-08-04 US disclosed
EP-0224259-A2 A working fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-06-03 EP disclosed
EP-0167900-A1 Pressure-sensitive recording material NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1986-01-15 EP disclosed
US-4557755-A POLYMERIZING CATIONIC UREA RESIN AND FORMALDEHYDE PREPOLYMER KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-12-10 US disclosed
US-4390194-A DYE-PRECURSOR IN SOLVENT MIXTURE OF 1-METHYL-3-PHENYLINDANE AND A DIARYLALKANE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1983-06-28 US disclosed