SCHEMBL7929254

SCHEMBL7929254

COc1cccc(-c2ccccc2/C=C/C#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.44
CYP2C8 P10632 1/20 0.42
RXRA P19793 3/20 0.40
PPARD Q03181 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
SRC P12931 1/20 0.40
CSNK2A1 P68400 1/20 0.39
VCP P55072 1/20 0.39
GSK3B P49841 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
RXRB P28702 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL8167132 0.91 RAB9A (0.44) RXRAPPARDVCPHDAC8HSP90AA1
SCHEMBL7930701 0.89 EGFR (0.43) RXRARXRBRARARARBRARG
SCHEMBL7922803 0.88 CA1 (0.46) SLC16A3RXRAHDAC8RARARARB
SCHEMBL7935245 0.87 KMT2A (0.47) RXRAHDAC8RXRB
SCHEMBL7929283 0.86 RARB (0.46) RXRARXRBRARARARBRARG
SCHEMBL7935134 0.86 RARB (0.46) RXRARXRBRARARARBRARG
SCHEMBL6479998 0.85 RARB (0.44) RXRARXRBRARARARBRARG
SCHEMBL6473734 0.85 RARB (0.44) RXRARXRBRARARARBRARG
SCHEMBL7928924 0.85 RARB (0.44) RXRARXRBRARARARBRARG
SCHEMBL7922661 0.84 RARB (0.44) RXRARARARARBRARG

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