SCHEMBL10464280

SCHEMBL10464280

CCCCCCC(C)(C)c1cc(Cc2cc(C)c(O)c(C(=O)O)c2)c(OCC)c(Cc2cc(C)c(O)c(C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HMGB1 P09429 1/20 0.47
▸ CXCL12 P48061 1/20 0.47
▸ CNR2 P34972 19/20 0.40
▸ CNR1 P21554 17/20 0.40
▸ GPR55 Q9Y2T6 2/20 0.40
▸ GPR18 Q14330 1/20 0.40

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
SCHEMBL5885489 0.81 CNR2 (0.50) HMGB1CXCL12CNR2CNR1GPR55
SCHEMBL3008861 0.81 CNR2 (0.50) HMGB1CXCL12CNR2CNR1GPR55
SCHEMBL1129774 0.80 CNR2 (0.48) HMGB1CXCL12CNR2CNR1
SCHEMBL10464424 0.80 HMGB1 (0.43) HMGB1CXCL12CNR2CNR1GPR55
SCHEMBL10464292 0.77 HMGB1 (0.51) HMGB1CXCL12
SCHEMBL10464420 0.76 KAT8 (0.52) CNR2CNR1GPR55GPR18
SCHEMBL10519870 0.75 ALDH1A1 (0.45) CNR2CNR1GPR55GPR18
SCHEMBL10464429 0.74 KAT8 (0.46) CNR2CNR1GPR55GPR18
SCHEMBL10463857 0.74 CNR2 (0.49) CNR2CNR1GPR55GPR18
SCHEMBL9252811 0.74 CNR1 (0.55) CNR2CNR1GPR55GPR18

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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