SCHEMBL7706884

SCHEMBL7706884

CC(C)CN(c1ccc(C(=O)O)cc1)c1ccc2c(c1)N(C(C)C)CCC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.62
RARA P10276 5/20 0.62
RARG P13631 5/20 0.62
RXRA P19793 14/20 0.52
RXRB P28702 13/20 0.52
RXRG P48443 10/20 0.52
CYP26A1 O43174 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39

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
SCHEMBL8116841 0.91 RXRA (0.65) RARBRARARARGRXRARXRB
SCHEMBL7709680 0.87 RARB (0.59) RARBRARARARGRXRARXRB
SCHEMBL8113512 0.86 RXRA (0.56) RARBRARARARGRXRARXRB
SCHEMBL8123556 0.84 RARB (0.61) RARBRARARARGRXRARXRB
SCHEMBL8116011 0.82 RXRA (0.65) RARBRARARARGRXRARXRB
SCHEMBL8116214 0.79 RXRA (0.69) RARBRARARARGRXRARXRB
SCHEMBL7710046 0.79 RXRA (0.69) RARBRARARARGRXRARXRB
SCHEMBL7712306 0.79 RARA (0.61) RARBRARARARGRXRARXRB
SCHEMBL8116675 0.77 RXRA (0.70) RARBRARARARGRXRARXRB
SCHEMBL30590593 0.77 RARB (1.00) RARBRARARARGRXRARXRB

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