SCHEMBL4165020

SCHEMBL4165020

CCCC(N)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
AOC3 Q16853 2/20 0.46
CYP3A4 P08684 4/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX12 P18054 2/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TEAD4 Q15561 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
Hydrochloric Acid SCHEMBL8189467 0.98 TDP1 (0.45) TDP1AOC3CYP3A4TSHRALDH1A1
Hydrochloric Acid SCHEMBL10535811 0.98 TDP1 (0.45) TDP1AOC3CYP3A4TSHRALDH1A1
SCHEMBL28765035 0.88 TDP1 (0.43) TDP1AOC3CYP3A4TSHRALDH1A1
SCHEMBL28766902 0.86 CSNK1E (0.45) TDP1AOC3ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1072933 0.83 TDP1 (0.50) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL27153510 0.82 CA12 (0.40) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL27928247 0.79 ALDH1A1 (0.44) TDP1AOC3CYP3A4TSHRALDH1A1
SCHEMBL14541275 0.78 TDP1 (0.50) TDP1AOC3CYP3A4TSHRALDH1A1
Alcohol SCHEMBL6565108 0.78 TDP1 (0.45) TDP1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL19265914 0.77 TDP1 (0.54) TDP1AOC3CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507164-B Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2023-10-24 CN claimed
CN-114507164-A Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2022-05-17 CN claimed
CN-114507164-B Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2023-10-24 CN disclosed
CN-114507164-A Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2022-05-17 CN disclosed
CN-1359390-B factor VIIa inhibitors AVENTIS PHARMA GMBH 2010-05-26 CN disclosed
US-20090030099-A1 FOAM COMPOSITION AND FOAM THE YOKOHAMA RUBBER CO., LTD. (JP) 2009-01-29 US disclosed
EP-1724318-A1 METHOD FOR ADHESIVE-BONDING VULCANIZED RUBBER COMPOSITIONS BY THE USE OF THERMOPLASTIC ELASTOMER COMPOSITIONS THE YOKOHAMA RUBBER CO., LTD. (JP) 2006-11-22 EP disclosed
US-20060213605-A1 Method for adhesive-bonding vulcanized rubber compositions by the use of thermoplastic elastomer compositions YOKOHAMA RUBBER CO., LTD., THE (JP) 2006-09-28 US disclosed
US-20060199917-A1 thermoplastic elastomer exhibiting high recyclability and oil resistance as well as excellent mechanical strength, and in particular, excellent resistance to compression set is provided. The thermoplastic resin with epoxy, hydroxy or nitrogen groups in backbone YOKOHAMA RUBBER CO., LTD., THE (JP) 2006-09-07 US disclosed
EP-1695987-A1 Thermoplastic elastomer composition THE YOKOHAMA RUBBER CO., LTD. (JP) 2006-08-30 EP disclosed
US-20060189755-A1 Thermoplastic elastomer composition THE YOKOHAMA RUBBER CO., LTD. 2006-08-24 US disclosed
CN-1359390-A factor VIIa inhibitors AVENTIS PHARMA GMBH (DE) 2002-07-17 CN disclosed
US-4995997-A Containing aromatic amine YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-26 US disclosed
EP-0388320-A1 Antibacterial water-soluble cutting fluids resistant to yeast-like fungi YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) 1990-09-19 EP disclosed