SCHEMBL7922738

SCHEMBL7922738

CCNC(=O)c1ccc(C#C/C=C/c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
ACACB O00763 1/20 0.39
MAPK14 Q16539 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1683992 0.84 RARB (0.53) LMNARARARARBRARGL3MBTL1
SCHEMBL1683993 0.84 RARB (0.53) LMNARARARARBRARGL3MBTL1
SCHEMBL8167327 0.84 TDP1 (0.46) RARARARBRARGNPC1RAB9A
SCHEMBL7929252 0.83 RARB (0.43) LMNARARARARBRARGL3MBTL1
SCHEMBL8175175 0.83 RARB (0.43) LMNARARARARBRARGNPC1
SCHEMBL7922726 0.82 DEGS1 (0.47) LMNAPOLBNPC1RAB9AL3MBTL1
SCHEMBL7931790 0.81 RARA (0.36) LMNAPOLBRARARARBRARG
SCHEMBL7922760 0.79 RARA (0.37) LMNAPOLBRARARARBRARG
SCHEMBL7929272 0.79 BACE1 (0.39) POLBRARARARBRARGABL1
SCHEMBL1683953 0.77 RARB (0.47) RARARARBRARGNPC1RAB9A

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