SCHEMBL8168025

SCHEMBL8168025

COC(=O)c1ccc(C#C/C=C/c2c(OC)cccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ RARA P10276 2/20 0.41
▸ RARB P10826 2/20 0.41
▸ RARG P13631 2/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ VDR P11473 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL1683977 0.91 RARB (0.51) TDP1RARARARBRARGABCG2
SCHEMBL1683976 0.91 RARB (0.51) TDP1RARARARBRARGABCG2
SCHEMBL8169474 0.89 EGFR (0.43) TDP1RARARARBRARGLMNA
SCHEMBL8179340 0.88 TDP1 (0.43) TDP1RARARARBRARGSMN1; SMN2
SCHEMBL8175733 0.84 TDP1 (0.43) TDP1RARARARBRARGLMNA
SCHEMBL8167327 0.83 TDP1 (0.46) TDP1RARARARBRARGSMN1; SMN2
SCHEMBL7930726 0.80 RARB (0.47) TDP1RARARARBRARGLMNA
SCHEMBL8181855 0.78 TDP1 (0.46) TDP1RARARARBRARGSMN1; SMN2
SCHEMBL8175790 0.78 TDP1 (0.46) TDP1RARARARBRARGSMN1; SMN2
SCHEMBL8182117 0.77 HDAC8 (0.46) TDP1RARARARBRARGLMNA

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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