SCHEMBL7565068

SCHEMBL7565068

Cc1c(N(c2ccc(C(=O)O)cc2)C(C)C)cc2c(c1C(C)C)OCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.42
RXRB P28702 11/20 0.42
RXRG P48443 9/20 0.42
RARB P10826 5/20 0.38
RARG P13631 5/20 0.38
RARA P10276 3/20 0.38
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HNF4A P41235 1/20 0.35
SSTR5 P35346 1/20 0.35
MEN1 O00255 1/20 0.33
CYP26A1 O43174 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 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
SCHEMBL7570828 0.89 RARB (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL7563373 0.85 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL8123033 0.85 RXRA (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL8110045 0.80 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL8118706 0.76 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL7563605 0.75 PTGS2 (0.53) ALOX5PTGS1PTGS2
SCHEMBL8116624 0.75 RARB (0.40) RARBRARGALOX5PTGS1PTGS2
SCHEMBL7563315 0.75 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL7568061 0.72 RXRA (0.39) RXRARXRBRXRGALOX5PTGS1
SCHEMBL7568215 0.72 PTGS2 (0.34) ALOX5PTGS1PTGS2

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-1228055-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012618-A1 DIHYDROAMINOBENZO[B]- AND [C]FURANS AS RETINOID-LIKE AGENTS ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 US disclosed