SCHEMBL7922764

SCHEMBL7922764

O=C(O)c1ccc(C#CC=Cc2ccccc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RARB P10826 7/20 0.41
RARA P10276 6/20 0.41
RARG P13631 6/20 0.41
RXRA P19793 2/20 0.41
PTGER1 P34995 2/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
SRD5A2 P31213 2/20 0.39
MAP4K4 O95819 1/20 0.38
CTRC Q99895 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RXRB P28702 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CDH1 P12830 1/20 0.36
APC P25054 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36

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
SCHEMBL7922763 1.00 ALOX15 (0.41) ALOX15TSHRRARBRARARARG
SCHEMBL6473734 0.91 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL6479998 0.91 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL7928924 0.91 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL7931791 0.89 BACE1 (0.44) RARBRARARARGRXRASRD5A2
SCHEMBL7922675 0.88 RARB (0.46) RARBRARARARGRXRASRD5A2
SCHEMBL1683992 0.88 RARB (0.53) RARBRARARARGRXRASRD5A2
SCHEMBL7929309 0.88 BCL2L1 (0.45) RARBRARARARGRXRAMAP4K4
SCHEMBL1683993 0.88 RARB (0.53) RARBRARARARGRXRASRD5A2
SCHEMBL7930628 0.87 MAP4K4 (0.43) RARBRARARARGRXRAPTGER1

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 3 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
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