SCHEMBL7564634

SCHEMBL7564634

CCc1cc(N)cc2c1OCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.40
PTGS1 P23219 18/20 0.40
ALOX5 P09917 10/20 0.40
NOTUM Q6P988 1/20 0.34

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
SCHEMBL6153873 0.79 PTGS2 (0.40) PTGS2PTGS1ALOX5NOTUM
SCHEMBL7571234 0.77 PTGS2 (0.35) PTGS2PTGS1ALOX5NOTUM
SCHEMBL6755894 0.76 PTGS2 (0.41) PTGS2PTGS1ALOX5
SCHEMBL6154326 0.76 PTGS2 (0.40) PTGS2PTGS1ALOX5
SCHEMBL7564292 0.73 PTGS2 (0.43) PTGS2PTGS1ALOX5NOTUM
SCHEMBL7568789 0.72 PTGS1 (0.33) PTGS2PTGS1ALOX5NOTUM
SCHEMBL6669568 0.72 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL6758648 0.72 PTGS2 (0.33) PTGS2PTGS1ALOX5
SCHEMBL6157545 0.69 PTGS2 (0.36) PTGS2PTGS1ALOX5
SCHEMBL17612789 0.67 SSTR5 (0.39) PTGS2PTGS1ALOX5NOTUM

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