SCHEMBL7710034

SCHEMBL7710034

CCOC(=O)c1ccc(NCc2cc3c(cc2C)N(C(C)C)CCC3(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.61
RARB P10826 5/20 0.61
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RARG P13631 2/20 0.43
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL8115557 0.97 RARA (0.62) RARARARBALDH1A1MAPTLMNA
SCHEMBL8114657 0.89 RARA (0.55) RARARARBALDH1A1MEN1KMT2A
SCHEMBL7706883 0.86 RARA (0.67) RARARARBALDH1A1MAPTLMNA
SCHEMBL8105372 0.83 RARA (0.63) RARARARBALDH1A1MAPTLMNA
SCHEMBL7709721 0.82 RARA (0.63) RARARARBALDH1A1MAPTLMNA
SCHEMBL7703933 0.82 RARA (0.72) RARARARBALDH1A1MAPTLMNA
SCHEMBL8115008 0.81 RARA (0.65) RARARARBALDH1A1MAPTLMNA
SCHEMBL7712308 0.81 RARA (0.58) RARARARBALDH1A1MAPTLMNA
SCHEMBL8116218 0.79 RARA (0.53) RARARARBALDH1A1MEN1KMT2A
SCHEMBL7712311 0.79 RARA (0.59) RARARARBALDH1A1LMNAMEN1

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