SCHEMBL7929252

SCHEMBL7929252

Cc1ccc(-c2ccccc2/C=C/C#Cc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.43
RARA P10276 5/20 0.43
RARG P13631 5/20 0.43
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 2/20 0.41
VCP P55072 1/20 0.38
KDR P35968 1/20 0.36
PARP10 Q53GL7 1/20 0.36
RXRA P19793 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHEK2 O96017 3/20 0.34
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1683993 0.89 RARB (0.53) RARBRARARARGVCPRXRA
SCHEMBL1683992 0.89 RARB (0.53) RARBRARARARGVCPRXRA
SCHEMBL8175175 0.88 RARB (0.43) RARBRARARARGVCPRXRA
SCHEMBL8167327 0.86 TDP1 (0.46) RARBRARARARGVCPMAPT
SCHEMBL7922760 0.84 RARA (0.37) RARBRARARARGVCPMAPT
SCHEMBL7929272 0.84 BACE1 (0.39) RARBRARARARGVCP
SCHEMBL7922738 0.83 LMNA (0.40) RARBRARARARGCYP1A2CYP2C9
SCHEMBL7931790 0.83 RARA (0.36) RARBRARARARGMAPTLMNA
SCHEMBL7922796 0.81 CYP2A6 (0.41) RARBRARARARGVCPMAPT
SCHEMBL7922726 0.81 DEGS1 (0.47) MAPTCYP2C9CYP2C19LMNAL3MBTL1

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 6 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-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 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