SCHEMBL1040934

SCHEMBL1040934

COc1cccc(CNC(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.69
RAB9A P51151 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 2/20 0.66
NPC1 O15118 2/20 0.66
MAPK1 P28482 1/20 0.66
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.62
CTNNB1 P35222 1/20 0.62
WNT3A P56704 1/20 0.62

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
SCHEMBL1042327 0.87 RAB9A (0.78) MMP13RAB9AMEN1KMT2ALMNA
SCHEMBL5338191 0.85 MEN1 (0.80) MMP13RAB9AMEN1KMT2ALMNA
SCHEMBL647939 0.82 RAB9A (0.84) MMP13RAB9AMEN1KMT2ALMNA
SCHEMBL1038950 0.82 ALDH1A1 (0.70) MMP13RAB9AMEN1KMT2ALMNA
SCHEMBL31061610 0.82 MMP13 (1.00) MMP13MEN1KMT2ALMNANPC1
SCHEMBL5332068 0.82 MMP13 (1.00) MMP13MEN1KMT2ALMNANPC1
SCHEMBL9416645 0.82 MMP13 (0.94) MMP13MEN1KMT2ALMNAALDH1A1
SCHEMBL108263 0.82 ALDH1A1 (0.92) MMP13MEN1KMT2ALMNANPC1
SCHEMBL4111423 0.82 HSP90AA1 (0.71) MMP13RAB9AMEN1KMT2ALMNA
SCHEMBL8820851 0.82 CHRM3 (0.62) RAB9AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480941-B1 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC (CA) 2011-01-26 EP disclosed
EP-1480941-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2004-12-01 EP disclosed
WO-2003074467-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-09-12 WO disclosed
US-6528532-B1 Benzenesulfonamide group PHARMACOR INC. (CA) 2003-03-04 US disclosed