SCHEMBL7564517

SCHEMBL7564517

CC(=O)c1c(C)c(Br)cc2c1OCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.41
PTGS1 P23219 18/20 0.41
ALOX5 P09917 11/20 0.36
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL5655986 0.78 PTGS2 (0.44) PTGS2PTGS1ALOX5
SCHEMBL7563291 0.73 PTGS2 (0.38) PTGS2PTGS1ALOX5
SCHEMBL6153136 0.72 PTGS2 (0.43) PTGS2PTGS1ALOX5
SCHEMBL5656078 0.72 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL7562425 0.72 PTGS1 (0.32) PTGS2PTGS1ALOX5
SCHEMBL7568295 0.72 PTGS2 (0.41) PTGS2PTGS1ALOX5
SCHEMBL25181143 0.72 PTGS2 (0.36) PTGS2PTGS1ALOX5
SCHEMBL13668257 0.71 PTGS1 (0.31) PTGS2PTGS1
SCHEMBL7564521 0.71 PTGS2 (0.34) PTGS2PTGS1ALOX5
SCHEMBL2489432 0.70 AHR (0.38) PTGS2PTGS1ALOX5

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