SCHEMBL7703905

SCHEMBL7703905

CC(C)N1C(=O)CC(C)(C)c2ccc(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.56
RARB P10826 2/20 0.56
RARG P13631 2/20 0.56
RXRA P19793 9/20 0.41
PGR P06401 1/20 0.39
BACE1 P56817 6/20 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
SCHEMBL6221699 0.88 RARA (0.56) RARARARBRARGRXRAPGR
SCHEMBL7710016 0.84 RARA (0.57) RARARARBRARGRXRAPGR
SCHEMBL9144609 0.80 CASP2 (0.42) RARARARBRARGRXRAPGR
SCHEMBL8603410 0.79 RARB (0.65) RARARARBRARGRXRABACE1
SCHEMBL9091776 0.78 RARA (0.51) RARARARBRARGRXRA
SCHEMBL3496914 0.78 RXRA (0.47) RARARARBRARGRXRAPGR
SCHEMBL7703951 0.78 RARA (0.46) RARARARBRARGRXRAPGR
SCHEMBL15577372 0.77 PGR (0.41) RARARARBRARGPGRBACE1
SCHEMBL31559289 0.77 PGR (0.41) RARARARBRARGPGRBACE1
SCHEMBL7709681 0.75 RARA (0.46) RARARARBRARGRXRA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
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
EP-0825986-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1998-03-04 EP disclosed
US-5616712-A SKIN DISORDERS; ANTICARCINOGENIC AND -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; ALLERGAN (US) 1997-04-01 US disclosed
WO-1996036609-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1996-11-21 WO disclosed