SCHEMBL7922650

SCHEMBL7922650

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
RARB P10826 9/20 0.45
RARA P10276 5/20 0.45
RARG P13631 5/20 0.45
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G4B P0C869 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 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
SCHEMBL7932595 0.92 HDAC8 (0.48) PTPN11RARBRARARARGTP53
SCHEMBL8180346 0.91 MAPT (0.42) PTPN11RARBRARARARGHDAC8
SCHEMBL6449039 0.89 RARB (0.45) PTPN11RARBRARARARGHCRTR1
SCHEMBL7922671 0.87 RARB (0.48) RARBRARARARGKMT2AHDAC8
SCHEMBL7922701 0.86 RARB (0.46) PTPN11RARBRARARARGTP53
SCHEMBL2909230 0.84 RARB (0.53) RARBRARARARGMAPTKDM4E
SCHEMBL2909227 0.84 RARB (0.53) RARBRARARARGMAPTKDM4E
SCHEMBL8182456 0.83 HDAC8 (0.47) HDAC8MAPTTHRBL3MBTL1RAB9A
SCHEMBL7930707 0.81 RARB (0.51) RARBRARARARGKMT2AMAPT
SCHEMBL1683971 0.81 RARB (0.45) PTPN11RARBRARARARGHDAC8

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