SCHEMBL6973549

SCHEMBL6973549

C=CCCOC(=O)O[C]=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 5/20 0.31
TSHR P16473 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL47886 0.81 CA2 (0.42) CA2CA9KDM4EALDH1A1TSHR
SCHEMBL6970930 0.80
SCHEMBL11332982 0.73 CA2 (0.37) CA2CA9KDM4EALDH1A1TSHR
SCHEMBL12214046 0.73
SCHEMBL28051357 0.73
SCHEMBL6723047 0.72
SCHEMBL47887 0.72
SCHEMBL6969940 0.72
SCHEMBL6973554 0.71 CA2 (0.35) CA2CA9KDM4EALDH1A1TSHR
SCHEMBL734227 0.71 ALDH1A1 (0.38) CA2CA9KDM4EALDH1A1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed