SCHEMBL7564506

SCHEMBL7564506

CCOC(=O)c1ccc(N(CC)c2cc(C)c3c(c2)C(C)(C)CO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.46
RXRB P28702 5/20 0.46
RXRG P48443 5/20 0.46
ALOX5 P09917 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
RARA P10276 4/20 0.38
RARB P10826 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 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
SCHEMBL8117130 0.90 RXRA (0.45) RXRARXRBRXRGALOX5PTGS1
SCHEMBL7568206 0.88 ALOX5 (0.39) RXRARXRBRXRGALOX5PTGS1
SCHEMBL7561574 0.88 RXRA (0.60) RXRARXRBRXRGALOX5PTGS1
SCHEMBL7570012 0.88 PTGS2 (0.53) ALOX5PTGS1PTGS2
SCHEMBL7561892 0.88 RXRA (0.43) RXRARXRBRXRGALOX5PTGS1
SCHEMBL7564227 0.85 RARA (0.39) ALOX5PTGS1PTGS2RARARARB
SCHEMBL7562951 0.78 MAPT (0.39) RXRARXRBRXRGALOX5PTGS1
SCHEMBL7565083 0.78 RAB9A (0.47) CA1CA2LMNACYP1A2RAB9A
SCHEMBL7570006 0.76 RXRA (0.60) RXRARXRBRXRGALOX5PTGS1
SCHEMBL7564779 0.76 RXRA (0.50) RXRARXRBRXRGRARARARB

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