SCHEMBL7706903

SCHEMBL7706903

Cc1cc2c(cc1CCNc1ccccc1C(=O)O)C(C)(C)CCN2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 2/20 0.43
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK2 P24941 9/20 0.37
RXRA P19793 3/20 0.36
MAPT P10636 1/20 0.35
F11 P03951 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 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
SCHEMBL8116218 0.83 RARA (0.53) RARARARBRARGALDH1A1RXRA
SCHEMBL8123216 0.80 AKT1 (0.45) RARARARBRARGAKT1AKT2
SCHEMBL8107181 0.79 RARA (0.53) RARARARBRARGALDH1A1RXRA
SCHEMBL8114657 0.75 RARA (0.55) RARARARBRARGALDH1A1RXRA
SCHEMBL8123213 0.74 RXRA (0.47) RARARARBRARGRXRA
SCHEMBL7712287 0.73 RARA (0.43) RARARARBRARGRXRA
SCHEMBL7703916 0.71 RARA (0.41) RARARARBRARGRXRA
SCHEMBL29388082 0.69 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CDK2MAPT
SCHEMBL7710034 0.69 RARA (0.61) RARARARBRARGALDH1A1HPGD
SCHEMBL8107528 0.68 RARA (0.58) RARARARBRARGALDH1A1RXRA

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