SCHEMBL7706907

SCHEMBL7706907

CCCN(c1ccc(C(=O)OCC)cc1)c1cc2c(cc1C)C(C)(C)CCN2C(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.59
RARB P10826 7/20 0.59
RXRA P19793 7/20 0.56
RXRB P28702 7/20 0.56
RXRG P48443 7/20 0.56
RARG P13631 4/20 0.41
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
FDFT1 P37268 1/20 0.33

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
SCHEMBL8115666 0.95 RARB (0.57) RARARARBRXRARXRBRXRG
SCHEMBL8116675 0.90 RXRA (0.70) RARARARBRXRARXRBRXRG
SCHEMBL7706900 0.88 RARA (0.62) RARARARBRXRARXRBRXRG
SCHEMBL8115664 0.86 RARA (0.60) RARARARBRXRARXRBRXRG
SCHEMBL7710038 0.84 RARA (0.62) RARARARBRXRARXRBRXRG
SCHEMBL8115004 0.82 RARA (0.69) RARARARBRXRARXRBRXRG
SCHEMBL7712306 0.82 RARA (0.61) RARARARBRXRARXRBRXRG
SCHEMBL7710046 0.82 RXRA (0.69) RARARARBRXRARXRBRXRG
SCHEMBL8118100 0.82 RARA (0.66) RARARARBRXRARXRBRXRG
SCHEMBL8115662 0.81 RARA (0.58) 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