SCHEMBL10463908

SCHEMBL10463908

CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)C)ccc2O)c(O)c(Cc2cc(C(C)(C)C)cc(C(=O)O)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ CNR2 P34972 14/20 0.41
▸ CNR1 P21554 12/20 0.41
▸ GPR18 Q14330 3/20 0.41
▸ GPR55 Q9Y2T6 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL10464428 0.91 CNR2 (0.47) ESR1ESR2CNR2CNR1GPR18
SCHEMBL10519870 0.88 ALDH1A1 (0.45) CNR2CNR1GPR18GPR55
SCHEMBL10463907 0.84 CYP3A4 (0.48) ESR1HSP90AA1HSP90AB1TDP1CYP2D6
SCHEMBL10463841 0.84 CNR2 (0.47) CNR2CNR1GPR18GPR55
SCHEMBL10463857 0.83 CNR2 (0.49) CNR2CNR1GPR18GPR55
SCHEMBL9252811 0.81 CNR1 (0.55) CNR2CNR1GPR18GPR55
SCHEMBL10464424 0.78 HMGB1 (0.43) CNR2CNR1GPR18GPR55
SCHEMBL1110468 0.78 KAT8 (0.55) CNR2CNR1
SCHEMBL11758730 0.78 CNR2 (0.51) CNR2CNR1GPR18GPR55
SCHEMBL11795928 0.77 CNR2 (0.58) ESR1ESR2CNR2CNR1GPR18

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920091-A CONTAINING SALICYLIC ACID DERIVATIVE AS ELECTRON ACCEPTING COLOR DEVELOPER; STABLE IMAGES FUJI PHOTO FILM CO., LTD. (JP) 1990-04-24 — — US disclosed
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