SCHEMBL7922661

SCHEMBL7922661

O=C(O)c1ccc(C#C/C=C/c2ccccc2-c2cccc(O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.44
RARA P10276 7/20 0.44
RARG P13631 7/20 0.44
EGFR P00533 1/20 0.42
CHEK1 O14757 1/20 0.40
RXRA P19793 1/20 0.39
PTGER1 P34995 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
PTGER4 P35408 1/20 0.38
PELI1 Q96FA3 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
BACE1 P56817 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 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
SCHEMBL7928924 0.89 RARB (0.44) RARBRARARARGEGFRRXRA
SCHEMBL6473734 0.89 RARB (0.44) RARBRARARARGEGFRRXRA
SCHEMBL6479998 0.89 RARB (0.44) RARBRARARARGEGFRRXRA
SCHEMBL7935134 0.87 RARB (0.46) RARBRARARARGRXRA
SCHEMBL7929283 0.87 RARB (0.46) RARBRARARARGRXRA
SCHEMBL7930628 0.87 MAP4K4 (0.43) RARBRARARARGRXRAPTGER1
SCHEMBL7931791 0.87 BACE1 (0.44) RARBRARARARGEGFRRXRA
SCHEMBL8167571 0.87 EGFR (0.41) RARBRARARARGEGFRPTGER1
SCHEMBL7929254 0.84 SLC16A3 (0.44) RARBRARARARGRXRA
SCHEMBL7922708 0.81 MKNK1 (0.50) RARBRARARARGRXRAHCAR2

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