SCHEMBL7922760

SCHEMBL7922760

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
VCP P55072 1/20 0.31
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 2/20 0.30
POLB P06746 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL7922796 0.87 CYP2A6 (0.41) RARARARBRARGCA12CA2
SCHEMBL7929272 0.86 BACE1 (0.39) RARARARBRARGVCPMEN1
SCHEMBL7931790 0.85 RARA (0.36) RARARARBRARGMAPTLMNA
SCHEMBL1683993 0.85 RARB (0.53) RARARARBRARGVCPMAPT
SCHEMBL1683992 0.85 RARB (0.53) RARARARBRARGVCPMAPT
SCHEMBL8175175 0.84 RARB (0.43) RARARARBRARGVCPMAPT
SCHEMBL7929252 0.84 RARB (0.43) RARARARBRARGVCPMAPT
SCHEMBL8167327 0.82 TDP1 (0.46) RARARARBRARGVCPMAPT
SCHEMBL7922738 0.79 LMNA (0.40) RARARARBRARGNPC1LMNA
SCHEMBL7932596 0.78 RARA (0.41) 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 2 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 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