SCHEMBL7706900

SCHEMBL7706900

CCOC(=O)c1ccc(N(C)c2cc3c(cc2C)C(C)(C)CCN3C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.62
RARB P10826 7/20 0.62
RXRA P19793 5/20 0.50
RXRB P28702 5/20 0.50
RXRG P48443 5/20 0.50
RARG P13631 4/20 0.43
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 1/20 0.35
FDFT1 P37268 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNJ1 P48048 1/20 0.34

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
SCHEMBL7710038 0.96 RARA (0.62) RARARARBRXRARXRBRXRG
SCHEMBL8115664 0.89 RARA (0.60) RARARARBRXRARXRBRXRG
SCHEMBL7706907 0.88 RARA (0.59) RARARARBRXRARXRBRXRG
SCHEMBL7706886 0.87 RARA (0.71) RARARARBRXRARXRBRXRG
SCHEMBL8122280 0.87 RXRA (0.67) RARARARBRXRARXRBRXRG
SCHEMBL8115666 0.87 RARB (0.57) RARARARBRXRARXRBRXRG
SCHEMBL8114654 0.83 RXRA (0.67) RARARARBRXRARXRBRXRG
SCHEMBL8115660 0.83 RARA (0.59) RARARARBRXRARXRBRXRG
SCHEMBL8115662 0.82 RARA (0.58) RARARARBRXRARXRBRXRG
SCHEMBL7712306 0.81 RARA (0.61) RARARARBRXRARXRBRXRG

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