SCHEMBL7931790

SCHEMBL7931790

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
FFAR1 O14842 4/20 0.35
FFAR4 Q5NUL3 2/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP2K4 P45985 1/20 0.32
ACACB O00763 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
BACE1 P56817 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7929272 0.88 BACE1 (0.39) RARARARBRARGMEN1POLB
SCHEMBL7922760 0.85 RARA (0.37) RARARARBRARGALDH1A1MEN1
SCHEMBL1683993 0.84 RARB (0.53) RARARARBRARGALDH1A1MEN1
SCHEMBL1683992 0.84 RARB (0.53) RARARARBRARGALDH1A1MEN1
SCHEMBL7922675 0.84 RARB (0.46) RARARARBRARGFFAR1ALDH1A1
SCHEMBL7922796 0.83 CYP2A6 (0.41) RARARARBRARGFFAR1ALDH1A1
SCHEMBL8175175 0.83 RARB (0.43) RARARARBRARGALDH1A1MAPT
SCHEMBL7929252 0.83 RARB (0.43) RARARARBRARGMAPTLMNA
SCHEMBL8175487 0.82 EGFR (0.40) RARARARBRARGMEN1POLB
SCHEMBL8167327 0.81 TDP1 (0.46) RARARARBRARGALDH1A1MAPT

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
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