SCHEMBL8615512

SCHEMBL8615512

CCc1c(C(=O)O)c2c(OCc3ccccc3)ccc(CC)n2c1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 4/20 0.43
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PTGER1 P34995 7/20 0.40
PLA2G2A P14555 2/20 0.37
PLA2G2E Q9NZK7 2/20 0.37
PLA2G5 P39877 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL7007210 0.86 PLA2G1B (0.53) PLA2G1BRXRARXRBRXRGPTGER1
SCHEMBL8615510 0.78 PLA2G1B (0.50) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL7014374 0.73 PLA2G1B (0.57) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL7013388 0.72 PLA2G1B (0.48) PLA2G1BPTGER1PLA2G2A
SCHEMBL8318865 0.72 PLA2G1B (0.48) PLA2G1BRXRARXRBRXRGPTGER1
SCHEMBL7012444 0.72 PLA2G1B (0.46) PLA2G1BPTGER1PLA2G2APLA2G2EPLA2G5
SCHEMBL7012614 0.72 PLA2G1B (0.48) PLA2G1BPLA2G2APLA2G2EPLA2G5
SCHEMBL7013840 0.70 PLA2G1B (0.47) PLA2G1BRXRARXRBRXRGPTGER1
SCHEMBL9081030 0.66 PLA2G1B (0.50) PLA2G1BPTGER1PLA2G2ACYP2C9SMN1; SMN2
SCHEMBL4403623 0.66 FOLH1 (0.51) PTGER1MCL1MAPTCYP2C9CYP2C19

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
WO-1998047507-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed