SCHEMBL5764971

SCHEMBL5764971

CCc1cc2c(OCC(=O)OC)nc(SC)nc2n1Cc1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 7/20 0.40
PLA2G2A P14555 5/20 0.38
FAAH O00519 2/20 0.36
POLB P06746 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
PPARG P37231 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
ACACA Q13085 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 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
SCHEMBL5764508 0.87 PPARG (0.40) PLA2G2APOLBPPARGALDH1A1MAPT
SCHEMBL5763363 0.85 ALOX5AP (0.42) POLBALDH1A1MAPT
SCHEMBL5762171 0.85 PLA2G1B (0.42) PLA2G1BPLA2G2AFAAHPOLBSQOR
SCHEMBL5762692 0.80 PLA2G2A (0.52) PLA2G1BPLA2G2APLA2G10PLA2G5
SCHEMBL5765021 0.80 GAA (0.38) PLA2G1BPLA2G2APOLBALDH1A1MAPT
SCHEMBL5764178 0.80 MAPT (0.40) PLA2G2APOLBALDH1A1MAPT
SCHEMBL5764583 0.79 ALDH1A1 (0.36) PLA2G2APOLBALDH1A1MAPT
SCHEMBL2157014 0.75 PLA2G2A (0.52) PLA2G1BPLA2G2APLA2G10PLA2G5
SCHEMBL5766775 0.75 PLA2G2A (0.40) PLA2G2AFAAHALDH1A1MAPT
SCHEMBL5763475 0.72 PLA2G2A (0.61) PLA2G1BPLA2G2APLA2G10PLA2G5

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
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed