SCHEMBL6449039

SCHEMBL6449039

COCOc1ccc(-c2ccc(C)cc2)c(/C=C/C#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.45
RARA P10276 7/20 0.45
RARG P13631 7/20 0.45
EGFR P00533 1/20 0.43
FYN P06241 2/20 0.40
RXRA P19793 1/20 0.40
MAP4K4 O95819 2/20 0.38
PTPN11 Q06124 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SRD5A2 P31213 2/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 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
SCHEMBL1683969 0.92 RARB (0.45) RARBRARARARGEGFRFYN
SCHEMBL1683971 0.92 RARB (0.45) RARBRARARARGEGFRFYN
SCHEMBL8175984 0.91 EGFR (0.43) RARBRARARARGEGFRFYN
SCHEMBL7922671 0.89 RARB (0.48) RARBRARARARGRXRAMAP4K4
SCHEMBL7922650 0.89 PTPN11 (0.47) RARBRARARARGRXRAPTPN11
SCHEMBL6478445 0.86 EGFR (0.47) RARBRARARARGEGFRFYN
SCHEMBL2909230 0.84 RARB (0.53) RARBRARARARGRXRAMAP4K4
SCHEMBL2909227 0.84 RARB (0.53) RARBRARARARGRXRAMAP4K4
SCHEMBL8174596 0.84 EGFR (0.41) RARBRARARARGEGFRFYN
SCHEMBL7930707 0.81 RARB (0.51) RARBRARARARGRXRAMAP4K4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037756-A3 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RES & DEV (FR) 2005-09-15 WO disclosed
WO-2005037756-A3 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RES & DEV (FR) 2005-09-15 WO disclosed
WO-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO disclosed
WO-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO disclosed
WO-2005037756-A2 NOVEL METHODS FOR THE PREPARATION OF 4-[4-(4-METHOXYMETHOXY-4'-METHYL-BIPHENYL-2-YL)-BUT-3-ENE-(E)-1-YNYL]-BENZOIC ACID GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 WO disclosed
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