SCHEMBL7776765

SCHEMBL7776765

COC(=O)c1ccc(OCCCc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ PPARG P37231 4/20 0.63
▸ CYP4A11 Q02928 2/20 0.56
▸ FFAR1 O14842 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ CYP4F2 P78329 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PPARD Q03181 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ S1PR1 P21453 1/20 0.52
▸ S1PR3 Q99500 1/20 0.52
▸ SRD5A2 P31213 1/20 0.51

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
SCHEMBL14966681 0.94 MAPT (0.74) MAPTRAB9APPARGCYP4A11FFAR1
SCHEMBL4364300 0.92 MAPT (0.74) MAPTRAB9ACYP4A11FFAR1KDM4E
SCHEMBL7776449 0.89 MAPT (0.64) MAPTRAB9ACYP4A11FFAR1CYP4F2
SCHEMBL7776764 0.88 RAB9A (0.65) MAPTRAB9ACYP4A11FFAR1KDM4E
SCHEMBL4361268 0.87 MAPT (0.72) MAPTRAB9ACYP4A11FFAR1KDM4E
SCHEMBL5392156 0.87 MAPT (0.77) MAPTRAB9APPARGCYP4A11FFAR1
SCHEMBL4359850 0.86 MAPT (0.70) MAPTRAB9ACYP4A11FFAR1KDM4E
SCHEMBL4376261 0.86 MAPT (0.70) MAPTRAB9ACYP4A11FFAR1KDM4E
SCHEMBL7774931 0.86 PKM (0.68) PPARGFFAR1S1PR1S1PR3SRD5A2
SCHEMBL24844734 0.85 MAPT (0.90) MAPTRAB9AKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 — — EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 — — EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 — — EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 — — WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 — — US disclosed
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