SCHEMBL1225599

SCHEMBL1225599

O=c1[nH]c2c(c(=O)o1)COCC2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
F2 P00734 1/20 0.36
CFD P00746 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK5 Q00535 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP19A1 P11511 8/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CTRC Q99895 1/20 0.31
OGT O15294 1/20 0.31
CDC7 O00311 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31

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
SCHEMBL1225956 0.80 SIRT2 (0.32)
SCHEMBL1226835 0.79 WNT3A (0.39)
SCHEMBL513059 0.79 NR3C1 (0.42) DDB1CRBNCYP19A1
SCHEMBL511808 0.77 DDB1 (0.36) DDB1CRBNCYP19A1CTRCOGT
SCHEMBL28826385 0.70 CYP19A1 (0.44) DDB1CRBNCYP19A1CTRC
SCHEMBL4101191 0.70 CYP19A1 (0.44) DDB1CRBNCYP19A1CTRC
SCHEMBL512872 0.65 CYP19A1 (0.38) CYP19A1MAOBALDH1A1
SCHEMBL369351 0.63 DDB1 (0.47) DDB1CRBNPDGFRACLK4CYP19A1
SCHEMBL512017 0.62 TNKS2 (0.43)
SCHEMBL512593 0.62 DDB1 (0.43) DDB1CRBNCYP19A1

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-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed