SCHEMBL7966710

SCHEMBL7966710

CS(=O)(=O)c1cccc(Cn2c3cc(CO)cc(OC(=O)CO)c3c3c(C(N)=O)cccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.42
GRM2 Q14416 2/20 0.33
PLA2G10 O15496 4/20 0.33
PPARG P37231 1/20 0.33
PLA2G2A P14555 8/20 0.33
PLA2G2D Q9UNK4 2/20 0.33
PLA2G5 P39877 1/20 0.32
PLA2G2F Q9BZM2 1/20 0.32
PLA2G2E Q9NZK7 1/20 0.32
CCR1 P32246 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
PLA2G1B P04054 1/20 0.32

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
SCHEMBL7966714 0.87 PLA2G2A (0.45) ADRA1DPLA2G10PLA2G2APLA2G2DPLA2G5
SCHEMBL7966708 0.84 ADRA1D (0.44) ADRA1DGRM2PLA2G10PPARGPLA2G2A
SCHEMBL27526243 0.78 ADRA1D (0.44) ADRA1DGRM2PLA2G10PPARGPLA2G2A
SCHEMBL6129597 0.78 PPARG (0.43) PLA2G10PPARGPLA2G2APLA2G2DPLA2G5
SCHEMBL6534810 0.77 PLA2G2A (0.39) PLA2G10PLA2G2APLA2G2DPLA2G5PLA2G2F
SCHEMBL7968908 0.77 CTNNB1 (0.39) PLA2G10PLA2G2APLA2G5PLA2G1B
SCHEMBL6129602 0.77 PLA2G2A (0.41) PLA2G10PLA2G2APLA2G2DPLA2G5PLA2G2F
SCHEMBL6129648 0.77 PLA2G2A (0.46) PLA2G10PLA2G2A
SCHEMBL6129642 0.77 PLA2G2A (0.41) PLA2G10PLA2G2APLA2G2DPLA2G5PLA2G2F
SCHEMBL8575181 0.77 PLA2G2A (0.46) PLA2G10PLA2G2APLA2G2DPLA2G5PLA2G2F

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
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed