SCHEMBL7709737

SCHEMBL7709737

Cc1cc2c(cc1N)C(C)(C)CCN2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.43
RARB P10826 4/20 0.43
RARG P13631 2/20 0.43
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 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
SCHEMBL7706875 0.94 RARA (0.43) RARARARBRARGHSD17B10CYP3A4
SCHEMBL7709686 0.82 RARA (0.43) RARARARBRARG
SCHEMBL7709675 0.77 RARA (0.53) RARARARBRARGALDH1A1
SCHEMBL7709957 0.77 RARA (0.53) RARARARBRARGALDH1A1ALOX15
SCHEMBL8293240 0.75 RARA (0.54) RARARARBRARGALDH1A1
SCHEMBL7712301 0.74 RARA (0.53) RARARARBRARGCYP3A4CYP1A2
SCHEMBL17675521 0.71 RARA (0.53) RARARARBRARG
SCHEMBL15625438 0.71 RARA (0.53) RARARARBRARGHSD17B10CYP3A4
SCHEMBL12715253 0.71 RARA (0.53) RARARARBRARGHSD17B10
SCHEMBL7709681 0.71 RARA (0.46) RARARARBRARGHSD17B10

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-1228042-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012606-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6127382-A AN ANTIPROLIFERATIVE AGENT FOR TREATING SKIN-RELATED DISEASES, AN ANTITUMOR AGENT TREATING CANCER, AN ANTIINFLAMMATORY AGENT TREATING PULMONARY FIBROSIS, ILEITIS, COLITIS AND KROHN'S DISEASE ALLERGAN SALES, INC. (US) 2000-10-03 US disclosed