SCHEMBL7645028

SCHEMBL7645028

CCCCC=Cc1cc(O)cc(C=CCCCC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.44
▸ APP P05067 1/20 0.42
▸ PTGS2 P35354 5/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ ALOX5 P09917 3/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL2030814 0.96 LCK (0.50) LCKAPPPTGS2CYP3A4ALOX5
SCHEMBL2030815 0.96 LCK (0.50) LCKAPPPTGS2CYP3A4ALOX5
SCHEMBL10296725 0.90 LCK (0.48) LCKPTGS2CYP3A4ALOX5
SCHEMBL11296041 0.89 PTGS2 (0.48) LCKPTGS2CYP3A4ALOX5
SCHEMBL17938768 0.89 PTGS2 (0.48) LCKPTGS2CYP3A4ALOX5
SCHEMBL17938807 0.89 PTGS2 (0.48) LCKPTGS2CYP3A4ALOX5
SCHEMBL17938809 0.89 PTGS2 (0.48) LCKPTGS2CYP3A4ALOX5
SCHEMBL2464261 0.89 PTGS2 (0.48) LCKPTGS2CYP3A4ALOX5
SCHEMBL17938765 0.89 PTGS2 (0.48) LCKPTGS2CYP3A4ALOX5
SCHEMBL11296037 0.89 PTGS2 (0.48) LCKPTGS2CYP3A4ALOX5

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
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