SCHEMBL7965719

SCHEMBL7965719

NC(=O)c1cccc2c1c1c(OCC(=O)O)cc(-c3ccccc3)cc1n2Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 12/20 0.57
PLA2G1B P04054 8/20 0.57
PLA2G10 O15496 3/20 0.46
PLA2G5 P39877 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 4/20 0.43
BAD Q92934 4/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G2E Q9NZK7 2/20 0.41
PLA2G2F Q9BZM2 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL7968444 0.94 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G10PLA2G5MEN1
SCHEMBL817656 0.90 PLA2G2A (0.67) PLA2G2APLA2G1BPLA2G10PLA2G5MEN1
SCHEMBL7964676 0.89 PLA2G2A (0.60) PLA2G2APLA2G1BPLA2G10PLA2G5MEN1
SCHEMBL7963709 0.89 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL7955259 0.88 PLA2G2A (0.57) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL7965983 0.88 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL7965115 0.88 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL7970732 0.88 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL7966192 0.88 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5MEN1
SCHEMBL7969674 0.87 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E

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