SCHEMBL8175733

SCHEMBL8175733

COC(=O)c1ccc(C#C/C=C/c2cccc(OC)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ RARA P10276 2/20 0.40
▸ RARB P10826 2/20 0.40
▸ RARG P13631 2/20 0.40
▸ LMNA P02545 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36

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
SCHEMBL1683959 0.92 RARB (0.48) RARARARBRARGLMNASMN1; SMN2
SCHEMBL1683960 0.92 RARB (0.48) RARARARBRARGLMNASMN1; SMN2
SCHEMBL8177006 0.89 EGFR (0.39) TDP1RARARARBRARGLMNA
SCHEMBL8175917 0.88 TDP1 (0.43) TDP1RARARARBRARGSMN1; SMN2
SCHEMBL8168025 0.84 TDP1 (0.42) TDP1RARARARBRARGLMNA
SCHEMBL8167327 0.84 TDP1 (0.46) TDP1RARARARBRARGSMN1; SMN2
SCHEMBL1683989 0.81 RARB (0.45) TDP1RARARARBRARGLMNA
SCHEMBL2941525 0.81 RARB (0.45) TDP1RARARARBRARGLMNA
SCHEMBL8181855 0.79 TDP1 (0.46) TDP1RARARARBRARGSMN1; SMN2
SCHEMBL8175790 0.79 TDP1 (0.46) TDP1RARARARBRARGSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 — — US disclosed
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