SCHEMBL7922701

SCHEMBL7922701

CCCOc1ccc(-c2ccccc2/C=C/C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.46
HDAC8 Q9BY41 2/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 5/20 0.43
PTPN11 Q06124 1/20 0.43
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PLA2G4A P47712 1/20 0.40

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
SCHEMBL7935245 0.90 KMT2A (0.47) HDAC8PKMPTPN11KMT2A
SCHEMBL8175906 0.90 MAPT (0.47) HDAC8KMT2AKDM4EMEN1
SCHEMBL6478445 0.88 EGFR (0.47) RARBPKMRARARARGHCRTR1
SCHEMBL7922803 0.87 CA1 (0.46) RARBHDAC8RARARARGKMT2A
SCHEMBL7932595 0.86 HDAC8 (0.48) RARBHDAC8TP53TSHRPLA2G4B
SCHEMBL7922650 0.86 PTPN11 (0.47) RARBHDAC8TP53TSHRPLA2G4B
SCHEMBL1683952 0.85 RARB (0.47) RARBTP53RARARARGKMT2A
SCHEMBL1683953 0.85 RARB (0.47) RARBTP53RARARARGKMT2A
SCHEMBL29462726 0.85 RARB (0.47) RARBTP53RARARARGKMT2A
SCHEMBL6473734 0.84 RARB (0.44) RARBPTPN11RARARARG

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