SCHEMBL27622981

SCHEMBL27622981

COC(=O)c1ccc(C(=O)OC(C)(C)C)c(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
GAA P10253 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
GLA P06280 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CFTR P13569 2/20 0.47
ABL1 P00519 1/20 0.46
ATR Q13535 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA5A P35218 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL27889256 0.90 PTGER4 (0.48) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL27957318 0.90 GAA (0.46) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL28415472 0.86 ALDH1A1 (0.59) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL29120484 0.84 EGFR (0.42) GAACASP7CA1CA2CA9
SCHEMBL28757651 0.83 NR3C2 (0.41) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL27622960 0.83 NR3C2 (0.41) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL28932754 0.83 KDM4E (0.44) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL28627930 0.83 GAA (0.58) KDM4EGAAALDH1A1HSD17B10GLA
SCHEMBL28318092 0.81 LMNA (0.57) KDM4EALDH1A1HSD17B10GLAMAPT
SCHEMBL27333283 0.80 ALDH1A1 (0.35) KDM4EGAAALDH1A1HSD17B10GLA

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-1659161-A Piperidine derivatives having CCR3 antagonism TEIJIN LTD (JP) 2005-08-24 CN disclosed