SCHEMBL29079190

SCHEMBL29079190

COC(=O)C1=CNC=C(C(=O)O)C1c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 5/20 0.56
GLA P06280 4/20 0.56
HPGD P15428 4/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
HSD17B10 Q99714 3/20 0.56
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.51
NOTUM Q6P988 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KDR P35968 2/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL30483542 0.95 GAA (0.61) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL24477898 0.95 GAA (0.61) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL26970371 0.91 HTR3E (0.42) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL29079165 0.87 KDM4E (0.54) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL30483543 0.82 KDM4E (0.59) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL24477889 0.82 KDM4E (0.59) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL24477920 0.81 GAA (0.46) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL29079159 0.81 KDM4E (0.46) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL29079175 0.79 ALDH1A1 (0.60) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL28854608 0.79 HPGD (0.89) GAAKDM4EALDH1A1GLAHPGD

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-116601145-A Potent and selective calcium-activated potassium channel K for plateau treatment Ca 3.1 inhibitors 南洋理工大学 2023-08-15 CN disclosed