SCHEMBL7710145

SCHEMBL7710145

CCOC(=O)c1ccc(NC(C)c2ccc3c(c2)C(C)(C)CC(=O)N3C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.48
RARB P10826 5/20 0.48
RARG P13631 2/20 0.48
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
RXRA P19793 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL7710045 0.87 RARA (0.52) RARARARBRARGALDH1A1MEN1
SCHEMBL8122127 0.86 RARA (0.64) RARARARBRARGALDH1A1MEN1
SCHEMBL7703980 0.83 MEN1 (0.50) RARARARBRARGALDH1A1MEN1
SCHEMBL8115010 0.82 RARA (0.67) RARARARBRARGIDH1ALDH1A1
SCHEMBL7710141 0.82 RARA (0.47) RARARARBRARGALDH1A1MEN1
SCHEMBL8634168 0.81 RARB (0.74) RARARARBRARGKMT2AMAPK1
SCHEMBL7703983 0.80 RARA (0.51) RARARARBRARGALDH1A1MAPT
SCHEMBL7710137 0.79 RARA (0.50) RARARARBRARGMAPK1RXRA
SCHEMBL7712311 0.77 RARA (0.59) RARARARBRARGIDH1ALDH1A1
SCHEMBL8634937 0.75 RARB (0.74) RARARARBRARGKMT2AMAPK1

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