SCHEMBL27666396

SCHEMBL27666396

CCOC(=O)C(Cc1ccc(Cl)cc1)n1cccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.49
HSD17B10 Q99714 1/20 0.49
EPHX2 P34913 1/20 0.46
MAPT P10636 8/20 0.44
TP53 P04637 4/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TNF P01375 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NOD2 Q9HC29 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL6713412 0.87 PTGS2 (0.50) NPSR1HSD17B10MAPTTP53POLB
SCHEMBL10842542 0.80 NPSR1 (0.75) NPSR1HSD17B10MAPTTP53MAPK1
SCHEMBL6713346 0.79 LMNA (0.58) NPSR1HSD17B10LMNAALDH1A1PPARG
SCHEMBL3371820 0.79 EPHX2 (0.45) NPSR1EPHX2MAPTPOLBMAPK1
SCHEMBL2672619 0.77 MMP8 (0.54) NPSR1EPHX2MAPTTP53HPGD
SCHEMBL5145087 0.76 TP53 (0.42) NPSR1HSD17B10EPHX2MAPTTP53
SCHEMBL2551616 0.75 EPHX2 (0.52) NPSR1EPHX2MAPTHPGDLMNA
SCHEMBL25403051 0.74 MMP8 (0.55) NPSR1EPHX2MAPTTP53HPGD
SCHEMBL6365766 0.74 EPHX2 (0.51) NPSR1EPHX2MAPTPOLBHPGD
SCHEMBL21117877 0.74 EPHX2 (0.51) NPSR1EPHX2MAPTPOLBHPGD

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-1956949-A Substituted sulfonamides MERCK & CO INC (US) 2007-05-02 CN disclosed