SCHEMBL7968908

SCHEMBL7968908

NC(=O)c1cccc2c1c1c(OC(=O)CO)cc(CO)cc1n2Cc1ccccc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.39
SCN9A Q15858 1/20 0.35
SYK P43405 1/20 0.34
PLA2G2A P14555 9/20 0.34
PLA2G1B P04054 3/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
DRD2 P14416 1/20 0.33
HTR6 P50406 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
BRD4 O60885 2/20 0.32
PPARA Q07869 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
SCHEMBL7968911 0.88 PLA2G2A (0.45) CTNNB1PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL7968907 0.86 CTNNB1 (0.41) CTNNB1SYKPLA2G2APLA2G1BPLA2G10
SCHEMBL27530208 0.80 CTNNB1 (0.40) CTNNB1SCN9ASYKPLA2G2APLA2G1B
SCHEMBL6773208 0.80 CTNNB1 (0.42) CTNNB1PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL7963737 0.80 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL6774146 0.79 CTNNB1 (0.49) CTNNB1SCN9ASYKPLA2G2APLA2G1B
SCHEMBL8575181 0.79 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL7966738 0.78 PLA2G2A (0.52) CTNNB1PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL6776025 0.78 CTNNB1 (0.43) CTNNB1SYKPLA2G2APLA2G1BPLA2G10
SCHEMBL7966710 0.77 ADRA1D (0.42) PLA2G2APLA2G1BPLA2G10PLA2G5

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