SCHEMBL7962764

SCHEMBL7962764

CCCc1cc(C(=O)C(=O)O)c2c3c(C(N)=O)cccc3n(Cc3cc(F)cc(F)c3F)c2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.33
ABCC1 P33527 4/20 0.33
MAPK14 Q16539 2/20 0.33
PPARG P37231 2/20 0.32
CYP3A4 P08684 2/20 0.31
SERPINE1 P05121 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL7962769 0.85 PLA2G2A (0.42) PLA2G2A
SCHEMBL7962766 0.84 ABCC1 (0.32) PLA2G2AABCC1MAPK14PPARG
SCHEMBL28740799 0.82 PPARG (0.32) ABCC1MAPK14PPARGCYP3A4
SCHEMBL6129596 0.78 PPARG (0.45) PLA2G2APPARG
SCHEMBL7967403 0.78 PPARG (0.36) PLA2G2APPARG
SCHEMBL27526622 0.77 AGTR1 (0.33) ABCC1MAPK14PPARGCYP3A4AGTR1
SCHEMBL27505302 0.77 PPARG (0.35) ABCC1PPARGAGTR1AGTR2
SCHEMBL27506349 0.76 MAPK14 (0.32) PLA2G2AABCC1MAPK14CYP3A4
SCHEMBL29029763 0.76 AURKA (0.41) PLA2G2A
SCHEMBL30410352 0.76 AURKA (0.41) PLA2G2A

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