SCHEMBL7932595

SCHEMBL7932595

CCCOc1ccc(/C=C/C#Cc2ccc(C(=O)O)cc2)c(-c2ccc(C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.48
RARB P10826 8/20 0.45
RARA P10276 4/20 0.45
RARG P13631 4/20 0.45
PTPN11 Q06124 1/20 0.44
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G4B P0C869 2/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7922650 0.92 PTPN11 (0.47) HDAC8RARBRARARARGPTPN11
SCHEMBL8182456 0.91 HDAC8 (0.47) HDAC8RAB9AMAPTTHRBL3MBTL1
SCHEMBL1683969 0.89 RARB (0.45) HDAC8RARBRARARARGPTPN11
SCHEMBL1683971 0.89 RARB (0.45) HDAC8RARBRARARARGPTPN11
SCHEMBL7930751 0.87 RARA (0.48) HDAC8RARBRARARARGKDM4E
SCHEMBL7922701 0.86 RARB (0.46) HDAC8RARBRARARARGPTPN11
SCHEMBL7929284 0.84 RARB (0.53) RARBRARARARGKMT2AKDM4E
SCHEMBL7931894 0.84 RARB (0.53) RARBRARARARGKMT2AKDM4E
SCHEMBL8180346 0.83 MAPT (0.42) HDAC8RARBRARARARGPTPN11
SCHEMBL7931861 0.81 RARB (0.51) RARBRARARARGKMT2AKDM4E

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