SCHEMBL7637463

SCHEMBL7637463

CCCCCCCCC(C=CC[O])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR2A P28223 1/20 0.38
ASAH1 Q13510 2/20 0.38
CYP2D6 P10635 1/20 0.37
CSNK1E P49674 1/20 0.37
ACER2 Q5QJU3 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL7637461 1.00 NAAA (0.39) NAAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5855593 0.85 SIGMAR1 (0.39) NAAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5855590 0.85 SIGMAR1 (0.39) NAAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5854421 0.82 CSNK1E (0.43) NAAAHTR2AASAH1CSNK1EOPRM1
SCHEMBL28495566 0.82 CSNK1E (0.43) NAAAHTR2AASAH1CSNK1EOPRM1
SCHEMBL5854424 0.82 CSNK1E (0.43) NAAAHTR2AASAH1CSNK1EOPRM1
SCHEMBL22612710 0.82 CSNK1E (0.43) NAAAHTR2AASAH1CSNK1EOPRM1
SCHEMBL7642931 0.81 HTR2A (0.40) NAAAALDH1A1HTR2AASAH1CSNK1E
SCHEMBL7642935 0.81 HTR2A (0.40) NAAAALDH1A1HTR2AASAH1CSNK1E
SCHEMBL25273765 0.80 NAAA (0.43) NAAAALDH1A1HTR2AASAH1CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410777-B1 HALOGEN-FREE TEIJIN LIMITED (JP) 2002-06-25 US disclosed
EP-0980861-A1 SALICYLIC ESTER DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2000-02-23 EP disclosed