SCHEMBL7930751

SCHEMBL7930751

COc1ccc(/C=C/C#Cc2ccc(C(=O)O)cc2)c(-c2ccc(C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.48
RARB P10826 5/20 0.48
RARG P13631 5/20 0.48
HDAC8 Q9BY41 5/20 0.47
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
NCOR2 Q9Y618 1/20 0.45
RXRA P19793 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C8 P10632 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAP4K4 O95819 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7922671 0.92 RARB (0.48) RARARARBRARGHDAC8RXRA
SCHEMBL8182117 0.91 HDAC8 (0.46) RARARARBRARGHDAC8HDAC3
SCHEMBL1683971 0.89 RARB (0.45) RARARARBRARGHDAC8HDAC3
SCHEMBL1683969 0.89 RARB (0.45) RARARARBRARGHDAC8HDAC3
SCHEMBL7931894 0.89 RARB (0.53) RARARARBRARGRXRAKDM4E
SCHEMBL7929284 0.89 RARB (0.53) RARARARBRARGRXRAKDM4E
SCHEMBL7932595 0.87 HDAC8 (0.48) RARARARBRARGHDAC8KDM4E
SCHEMBL7931861 0.86 RARB (0.51) RARARARBRARGRXRAKDM4E
SCHEMBL7922803 0.84 CA1 (0.46) RARARARBRARGHDAC8HDAC3
SCHEMBL8176538 0.82 KDM4E (0.43) RARARARBRARGHDAC8KDM4E

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-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP claimed
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 claimed
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
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
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed