SCHEMBL7966708

SCHEMBL7966708

CS(=O)(=O)c1cccc(Cn2c3cccc(C(N)=O)c3c3c(C(=O)C(=O)O)cc(CO)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.44
PPARG P37231 1/20 0.38
PLA2G2A P14555 10/20 0.35
PLA2G1B P04054 2/20 0.35
GRM2 Q14416 1/20 0.35
KLK1 P06870 1/20 0.35
CCR2 P41597 1/20 0.34
PLA2G10 O15496 3/20 0.34
PLA2G5 P39877 2/20 0.34
PLA2G2E Q9NZK7 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CCR1 P32246 1/20 0.34
PLA2G2F Q9BZM2 1/20 0.34
PLA2G2D Q9UNK4 1/20 0.34
F10 P00742 1/20 0.33

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 0.85 PLA2G2A (0.45) ADRA1DPLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL7966710 0.84 ADRA1D (0.42) ADRA1DPPARGPLA2G2APLA2G1BGRM2
SCHEMBL27526243 0.81 ADRA1D (0.44) ADRA1DPPARGPLA2G2AGRM2PLA2G10
SCHEMBL30410966 0.78 ADRA1D (0.46) ADRA1DPLA2G2APLA2G1BKLK1
SCHEMBL29029780 0.78 ADRA1D (0.46) ADRA1DPLA2G2APLA2G1BKLK1
SCHEMBL27526247 0.77 ADRA1D (0.48) ADRA1DPPARGPLA2G2AGRM2PLA2G10
SCHEMBL27507593 0.76 ADRA1D (0.45) ADRA1DPPARGPLA2G2AGRM2KLK1
SCHEMBL6129596 0.76 PPARG (0.45) PPARGPLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL8575180 0.76 PLA2G2A (0.46) ADRA1DPLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL27526153 0.76 ADRA1D (0.44) ADRA1DPPARGPLA2G2APLA2G1BGRM2

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