SCHEMBL27693304

SCHEMBL27693304

CC(C)C(C)(NC(=O)c1cc(F)c2ccccc2c1O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
MCL1 Q07820 11/20 0.38
HSD17B10 Q99714 3/20 0.37
CYP2C9 P11712 2/20 0.37
IMPDH2 P12268 1/20 0.37
BCL2L1 Q07817 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
ATIC P31939 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NSD2 O96028 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL27693285 0.85 KDM4E (0.73) KDM4EPOLBAPEX1MCL1HSD17B10
SCHEMBL485751 0.84 KDM4E (0.71) KDM4EPOLBAPEX1MCL1HSD17B10
SCHEMBL28766910 0.82 KDM4E (0.52) KDM4EPOLBAPEX1MCL1HSD17B10
SCHEMBL27693283 0.80 LDHA (0.51) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL27713027 0.78 KDM4E (0.49) KDM4EPOLBAPEX1MCL1HSD17B10
SCHEMBL485613 0.77 KDM4E (0.54) KDM4EPOLBAPEX1MCL1CYP2C9
SCHEMBL27693316 0.73 CXCR2 (0.44) KDM4EPOLBMEN1MAPTKMT2A
SCHEMBL484864 0.73 KDM4E (0.44) KDM4EPOLBAPEX1MCL1CYP2C9
SCHEMBL17262485 0.73 HNF4A (0.41) KDM4EPOLBMAPTALDH1A1
SCHEMBL484865 0.73 KDM4E (0.44) KDM4EPOLBAPEX1MCL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN disclosed