SCHEMBL27889256

SCHEMBL27889256

COC(=O)c1ccc(C(=O)OC(C)(C)C)c(N)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.48
KDM4E B2RXH2 6/20 0.42
GAA P10253 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GLA P06280 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 2/20 0.42
ATR Q13535 1/20 0.42
ABL1 P00519 1/20 0.41
GRM6 O15303 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA5A P35218 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL27622981 0.90 KDM4E (0.47) PTGER4KDM4EGAAALDH1A1HSD17B10
SCHEMBL28932754 0.88 KDM4E (0.44) PTGER4KDM4EGAAALDH1A1HSD17B10
SCHEMBL2920746 0.88 PTGER4 (0.56) PTGER4KDM4EGAAALDH1A1HSD17B10
SCHEMBL3248133 0.85 GRM6 (0.43) PTGER4KDM4EALDH1A1HSD17B10CASP7
SCHEMBL28002667 0.85 GRM6 (0.43) PTGER4KDM4EALDH1A1MAPTCASP7
SCHEMBL27957318 0.84 GAA (0.46) PTGER4KDM4EGAAALDH1A1HSD17B10
SCHEMBL27878881 0.81 GRM6 (0.40) CFTRABL1GRM6CA1CA2
SCHEMBL27825365 0.80 PTGER4 (0.49) PTGER4KDM4EGAAALDH1A1HSD17B10
SCHEMBL2825687 0.80 PTGER4 (0.49) PTGER4KDM4EGAAALDH1A1HSD17B10
SCHEMBL27862441 0.80 PTGER4 (0.52) PTGER4KDM4EGAAALDH1A1HSD17B10

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-102884051-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-01-16 CN disclosed