SCHEMBL7754878

SCHEMBL7754878

CCc1c(C(=O)C(N)=O)c2c(OC(=O)C=O)nc(C)cn2c1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 18/20 0.45
PLA2G2A P14555 3/20 0.40
PLA2G5 P39877 1/20 0.37
PLA2G2E Q9NZK7 1/20 0.37

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
SCHEMBL7645755 0.88 PLA2G2A (0.54) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL7192247 0.86 PLA2G1B (0.57) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL14394327 0.84 PLA2G1B (0.43) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL14394234 0.82 PLA2G1B (0.58) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL13893641 0.80 PLA2G1B (0.51) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL7946056 0.78 PLA2G2A (0.46) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL14394323 0.78 PLA2G1B (0.48) PLA2G1BPLA2G2A
SCHEMBL7193741 0.78 PLA2G1B (0.65) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL13893693 0.78 PLA2G1B (0.67) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL13888714 0.77 PLA2G1B (0.42) PLA2G1BPLA2G2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001066111-A1 COMPOSITIONS CONTAINING POTENTIAL SPLA2 INHIBITORS FOR THE TREATMENT OF PAIN ELI LILLY AND COMPANY (US) 2001-09-13 WO disclosed
WO-2001055108-A2 USE OF SPL A2 INHIBITORS FOR THE TREATMENT OF INFLAMMATION ELI LILLY AND COMPANY (US) 2001-08-02 WO disclosed