SCHEMBL7753525

SCHEMBL7753525

CCc1c(C(=O)C(N)=O)c2c(C(=O)C(=O)O)nc(C)cn2c1Cc1ccccc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.49
PLA2G1B P04054 17/20 0.47
PLA2G2E Q9NZK7 2/20 0.47
PLA2G5 P39877 1/20 0.47
PLA2G2F Q9BZM2 1/20 0.40

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
SCHEMBL7643172 0.91 PLA2G2A (0.51) PLA2G2APLA2G1BPLA2G2EPLA2G5PLA2G2F
SCHEMBL7946058 0.87 PLA2G2A (0.54) PLA2G2APLA2G1BPLA2G2EPLA2G5PLA2G2F
SCHEMBL7192818 0.86 PLA2G1B (0.55) PLA2G2APLA2G1BPLA2G2EPLA2G5PLA2G2F
SCHEMBL7736651 0.84 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G2EPLA2G5PLA2G2F
SCHEMBL7641251 0.84 PLA2G1B (0.58) PLA2G2APLA2G1BPLA2G2EPLA2G5
SCHEMBL7948127 0.84 PLA2G2A (0.58) PLA2G2APLA2G1BPLA2G2EPLA2G5PLA2G2F
SCHEMBL7946056 0.84 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G2EPLA2G5PLA2G2F
SCHEMBL7736657 0.83 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G2EPLA2G5PLA2G2F
SCHEMBL7645569 0.82 PLA2G1B (0.55) PLA2G2APLA2G1BPLA2G2EPLA2G5
SCHEMBL7643611 0.80 PLA2G2A (0.44) PLA2G2APLA2G1BPLA2G2EPLA2G5

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