SCHEMBL8175917

SCHEMBL8175917

COC(=O)c1ccc(C#C/C=C/c2cccc(O)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
▸ ERN1 O75460 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL7930761 0.89 RARB (0.51) RARARARBRARGERN1ALDH1A1
SCHEMBL8175733 0.88 TDP1 (0.43) TDP1RARARARBRARGERN1
SCHEMBL8167327 0.84 TDP1 (0.46) TDP1RARARARBRARGALDH1A1
SCHEMBL8179340 0.84 TDP1 (0.43) TDP1RARARARBRARGERN1
SCHEMBL8177006 0.84 EGFR (0.39) TDP1RARARARBRARGALDH1A1
SCHEMBL8181855 0.80 TDP1 (0.46) TDP1RARARARBRARGERN1
SCHEMBL8175790 0.80 TDP1 (0.46) TDP1RARARARBRARGERN1
SCHEMBL6430338 0.80 RARB (0.53) RARARARBRARGALDH1A1MAPT
SCHEMBL6430311 0.80 RARB (0.53) RARARARBRARGALDH1A1MAPT
SCHEMBL8168703 0.80 TDP1 (0.43) TDP1RARARARBRARGERN1

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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