SCHEMBL7922671

SCHEMBL7922671

COc1ccc(-c2ccc(C)cc2)c(/C=C/C#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.48
RARA P10276 7/20 0.48
RARG P13631 7/20 0.48
CYP2C8 P10632 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RXRA P19793 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MAP4K4 O95819 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL7930751 0.92 RARA (0.48) RARBRARARARGCYP2C8SMN1; SMN2
SCHEMBL8176538 0.91 KDM4E (0.43) RARBRARARARGSMN1; SMN2KDM4E
SCHEMBL6449039 0.89 RARB (0.45) RARBRARARARGRXRAMAP4K4
SCHEMBL2909227 0.89 RARB (0.53) RARBRARARARGSMN1; SMN2RXRA
SCHEMBL2909230 0.89 RARB (0.53) RARBRARARARGSMN1; SMN2RXRA
SCHEMBL7922650 0.87 PTPN11 (0.47) RARBRARARARGRXRAKDM4E
SCHEMBL7930707 0.86 RARB (0.51) RARBRARARARGSMN1; SMN2RXRA
SCHEMBL7922803 0.84 CA1 (0.46) RARBRARARARGSMN1; SMN2RXRA
SCHEMBL8182117 0.82 HDAC8 (0.46) RARBRARARARGSMN1; SMN2KDM4E
SCHEMBL7929284 0.82 RARB (0.53) RARBRARARARGSMN1; SMN2RXRA

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