SCHEMBL10602106

SCHEMBL10602106

CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc(O)c(C(=O)OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.66
▸ CNR2 P34972 3/20 0.66
▸ PSMB11 A5LHX3 2/20 0.65
▸ PSMA7 O14818 2/20 0.65
▸ PSMB1 P20618 2/20 0.65
▸ PSMA1 P25786 2/20 0.65
▸ PSMA2 P25787 2/20 0.65
▸ PSMA3 P25788 2/20 0.65
▸ PSMA4 P25789 2/20 0.65
▸ PSMB8 P28062 2/20 0.65
▸ PSMB9 P28065 2/20 0.65
▸ PSMA5 P28066 2/20 0.65
▸ PSMB4 P28070 2/20 0.65
▸ PSMB6 P28072 2/20 0.65
▸ PSMB5 P28074 2/20 0.65
▸ PSMB10 P40306 2/20 0.65
▸ PSMB3 P49720 2/20 0.65
▸ PSMB2 P49721 2/20 0.65
▸ PSMA6 P60900 2/20 0.65
▸ PSMA8 Q8TAA3 2/20 0.65

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
SCHEMBL2678367 0.94 CNR1 (0.74) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL2678363 0.94 CNR1 (0.74) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL11195217 0.93 KMT2A (0.56) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL10603398 0.88 PSMB11 (0.67) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL452985 0.88 PSMB11 (0.67) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL452984 0.88 PSMB11 (0.67) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL15021864 0.85 CNR1 (0.67) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL17716482 0.84 CNR1 (0.60) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL11892329 0.83 EGFR (0.56) CYP1A2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL11892327 0.83 HDAC3 (0.66) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148752-B1 PROTEASE INHIBITORS G.D. Searle & Co. (US) 1989-06-21 — — EP disclosed
US-4551279-A Protease inhibitors G. D. SEARLE & CO. (US) 1985-11-05 — — US disclosed
EP-0148752-A2 Protease inhibitors G.D. Searle & Co. (US) 1985-07-17 — — EP disclosed
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