SCHEMBL7931791

SCHEMBL7931791

O=C(O)c1ccc(C#C/C=C/c2ccccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
RARB P10826 7/20 0.42
RARA P10276 6/20 0.42
RARG P13631 6/20 0.42
RXRA P19793 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
TYR P14679 1/20 0.40
DRD1 P21728 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MMP9 P14780 2/20 0.40
EGFR P00533 1/20 0.38

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
SCHEMBL6479998 0.92 RARB (0.44) BACE1RARBRARARARGRXRA
SCHEMBL6473734 0.92 RARB (0.44) BACE1RARBRARARARGRXRA
SCHEMBL7928924 0.92 RARB (0.44) BACE1RARBRARARARGRXRA
SCHEMBL7922764 0.89 ALOX15 (0.41) RARBRARARARGRXRAMAPT
SCHEMBL7922763 0.89 ALOX15 (0.41) RARBRARARARGRXRAMAPT
SCHEMBL1683992 0.89 RARB (0.53) RARBRARARARGRXRAMEN1
SCHEMBL1683993 0.89 RARB (0.53) RARBRARARARGRXRAMEN1
SCHEMBL7929309 0.89 BCL2L1 (0.45) RARBRARARARGRXRAMMP9
SCHEMBL7922675 0.89 RARB (0.46) BACE1RARBRARARARGRXRA
SCHEMBL7922661 0.87 RARB (0.44) BACE1RARBRARARARGRXRA

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