SCHEMBL7935134

SCHEMBL7935134

Cc1cccc(-c2ccccc2C=CC#Cc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.46
RARA P10276 9/20 0.46
RARG P13631 9/20 0.46
RXRA P19793 2/20 0.43
CNR2 P34972 2/20 0.43
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
DHODH Q02127 1/20 0.38
RORC P51449 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
RXRB P28702 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TAS2R14 Q9NYV8 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
SCHEMBL7929283 1.00 RARB (0.46) RARBRARARARGRXRACNR2
SCHEMBL8180309 0.88 HSD17B10 (0.40) RARBRARARARGCNR2MAPK14
SCHEMBL6479998 0.88 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL6473734 0.88 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL7928924 0.88 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL7922661 0.87 RARB (0.44) RARBRARARARGRXRA
SCHEMBL1683992 0.87 RARB (0.53) RARBRARARARGRXRAALDH1A1
SCHEMBL1683993 0.87 RARB (0.53) RARBRARARARGRXRAALDH1A1
SCHEMBL7930628 0.86 MAP4K4 (0.43) RARBRARARARGRXRAGAA
SCHEMBL7929254 0.86 SLC16A3 (0.44) RARBRARARARGRXRARXRB

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