SCHEMBL27675425

SCHEMBL27675425

COC(=O)c1ccc(C(C)=O)c(C(=O)S)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.53
ALDH1A1 P00352 9/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 4/20 0.53
MAPT P10636 4/20 0.53
ATM Q13315 3/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL5152240 0.87 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2459449 0.84 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2409598 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15543469 0.79 TDP1 (0.52) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL670644 0.79 CA1 (0.67) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL29826125 0.79 CA1 (0.67) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5917807 0.79 CA12 (0.67) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL126043 0.77 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL29492994 0.77 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1680679 0.77 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT

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-86102987-A The production method of carbapeneme 1986-11-26 CN disclosed