SCHEMBL7736948

SCHEMBL7736948

CC(=O)OC1CC=C(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TAS2R46 P59540 4/20 0.45
CYP3A4 P08684 4/20 0.42
ALOX15 P16050 3/20 0.42
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN1 P18031 1/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRNA7 P36544 1/20 0.35
STAT3 P40763 1/20 0.35
CYP17A1 P05093 1/20 0.34

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
SCHEMBL16943992 1.00 LMNA (0.46) LMNATAS2R46CYP3A4ALOX15TSHR
SCHEMBL3670091 0.88 TAS2R46 (0.40) LMNATAS2R46CYP3A4ALOX15TSHR
SCHEMBL3670092 0.88 TAS2R46 (0.40) LMNATAS2R46CYP3A4ALOX15TSHR
SCHEMBL28552207 0.84 LMNA (0.41) LMNATAS2R46CYP3A4ALOX15TSHR
SCHEMBL3680369 0.82 TAS2R46 (0.38) LMNATAS2R46CYP3A4ALOX15TDP1
SCHEMBL3680367 0.82 TAS2R46 (0.38) LMNATAS2R46CYP3A4ALOX15TDP1
SCHEMBL9723379 0.82 LMNA (0.40) LMNATAS2R46CYP3A4ALOX15TSHR
SCHEMBL22880380 0.81 LMNA (0.46) LMNATAS2R46CYP3A4ALOX15TSHR
SCHEMBL29163567 0.80 SCN9A (0.38) TAS2R46CYP3A4ALOX15TSHRALDH1A1
SCHEMBL18911207 0.77 SCN1A (0.36) LMNACYP3A4ALOX15TSHRALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017010-B Preparation method of terephthalic acid and preparation method of 4-methyl-3-cyclohexene-1-methyl formate 远东新世纪股份有限公司 2016-08-17 CN claimed
EP-3738954-A1 METHOD OF PREPARATION OF SUBSTITUTED 2,4-DIAMINO-PYRIMIDINE-5-CARBOXAMIDES Signal Pharmaceuticals, LLC (US) 2020-11-18 EP disclosed
EP-3099302-B1 CRYSTALLINE FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
CN-106132487-B Body perfuming composition 毛利人南卡罗来纳州有限公司 2020-04-07 CN disclosed
CN-105017010-B Preparation method of terephthalic acid and preparation method of 4-methyl-3-cyclohexene-1-methyl formate 远东新世纪股份有限公司 2016-08-17 CN disclosed
CN-105017010-B Preparation method of terephthalic acid and preparation method of 4-methyl-3-cyclohexene-1-methyl formate 远东新世纪股份有限公司 2016-08-17 CN disclosed
CN-105017010-A Preparation method of terephthalic acid and preparation method of 4-methyl-3-cyclohexene-1-methyl formate FAR EASTERN NEW CENTURY CORP 2015-11-04 CN disclosed
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
WO-2000065801-A9 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH INC (US) 2001-04-12 WO disclosed
WO-2000065801-A1 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH, INC. (US) 2000-11-02 WO disclosed