SCHEMBL7776449

SCHEMBL7776449

COC(=O)c1ccc(CCc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ SRD5A2 P31213 3/20 0.59
▸ FFAR1 O14842 1/20 0.58
▸ CYP4A11 Q02928 2/20 0.57
▸ TSHR P16473 1/20 0.56
▸ CYP4F2 P78329 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ MGLL Q99685 1/20 0.55
▸ MAPK14 Q16539 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ LOXL2 Q9Y4K0 1/20 0.53

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
SCHEMBL9242690 0.90 MAPT (0.71) MAPTRAB9ASRD5A2TSHRSMN1; SMN2
SCHEMBL5608453 0.90 MAPT (0.71) MAPTRAB9ASRD5A2TSHRSMN1; SMN2
SCHEMBL7776765 0.89 MAPT (0.71) MAPTRAB9ASRD5A2FFAR1CYP4A11
SCHEMBL1928912 0.88 TSHR (0.67) MAPTRAB9ACYP4A11TSHRCYP4F2
SCHEMBL7776446 0.86 MAPT (0.51) MAPTRAB9AFFAR1CYP4A11TSHR
SCHEMBL21656469 0.85 CYP4A11 (0.58) MAPTRAB9ACYP4A11CYP4F2SMN1; SMN2
SCHEMBL28345649 0.85 SRD5A2 (0.68) MAPTRAB9ASRD5A2TSHRSMN1; SMN2
Diphenylether SCHEMBL10690245 0.84 TSHR (0.79) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL70185 0.84 CYP4A11 (0.75) MAPTCYP4A11TSHRCYP4F2SMN1; SMN2
SCHEMBL17946943 0.83 CA1 (0.60) MAPTRAB9ACYP4A11CYP4F2SMN1; SMN2

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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