SCHEMBL7930701

SCHEMBL7930701

COCOc1cccc(-c2ccccc2/C=C/C#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
FFAR1 O14842 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
FYN P06241 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL8175387 0.91 MAPT (0.40) EGFRRXRAFFAR1PTGER1PTGER4
SCHEMBL6478445 0.90 EGFR (0.47) EGFRRXRARARARARBRARG
SCHEMBL7929254 0.89 SLC16A3 (0.44) RXRARXRBRARARARBRARG
SCHEMBL7935245 0.89 KMT2A (0.47) RXRARXRBPKM
SCHEMBL7935134 0.81 RARB (0.46) RXRARXRBRARARARBRARG
SCHEMBL7929283 0.81 RARB (0.46) RXRARXRBRARARARBRARG
SCHEMBL8176971 0.81 MAPT (0.43) EGFRFYNPKM
SCHEMBL8175054 0.81 MAPT (0.44)
SCHEMBL6473734 0.81 RARB (0.44) EGFRRXRARXRBRARARARB
SCHEMBL6479998 0.81 RARB (0.44) EGFRRXRARXRBRARARARB

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