SCHEMBL7570012

SCHEMBL7570012

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.53
PTGS1 P23219 19/20 0.53
ALOX5 P09917 11/20 0.53

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
SCHEMBL7569163 0.88 RXRA (0.57) PTGS2PTGS1ALOX5
SCHEMBL7564506 0.88 RXRA (0.46) PTGS2PTGS1ALOX5
SCHEMBL8117130 0.87 RXRA (0.45) PTGS2PTGS1ALOX5
SCHEMBL7563837 0.86 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL7561892 0.84 RXRA (0.43) PTGS2PTGS1ALOX5
SCHEMBL8106974 0.81 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL7568206 0.76 ALOX5 (0.39) PTGS2PTGS1ALOX5
SCHEMBL7561574 0.76 RXRA (0.60) PTGS2PTGS1ALOX5
SCHEMBL7562951 0.75 MAPT (0.39) PTGS2PTGS1ALOX5
SCHEMBL7563292 0.75 PTGS2 (0.48) 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