SCHEMBL6776640

SCHEMBL6776640

CCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(Oc4ccccc4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.41
PPARG P37231 5/20 0.40
PPARA Q07869 3/20 0.40
CFTR P13569 4/20 0.38
STAT3 P40763 1/20 0.38
PLA2G2A P14555 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
SCHEMBL5212214 0.92 PPARG (0.46) PPARGPPARAPLA2G2A
SCHEMBL6897075 0.90 CETP (0.41) CETPPPARGPPARACFTR
SCHEMBL6775435 0.90 PLA2G2A (0.40) PLA2G2A
SCHEMBL6781319 0.89 PPARG (0.42) PPARGPPARAPLA2G2A
SCHEMBL6776320 0.89 PPARG (0.41) PPARGPPARAPLA2G2A
SCHEMBL7963070 0.88 PPARA (0.47) PPARGPPARAPLA2G2A
SCHEMBL6772666 0.88 CTNNB1 (0.41) PPARGPLA2G2A
SCHEMBL6776370 0.87 PPARG (0.44) PPARGPPARA
SCHEMBL6770304 0.87 CNR1 (0.42) PPARGPPARAPLA2G2A
SCHEMBL6775871 0.86 LMNA (0.40) PPARGPPARAPLA2G2A

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
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed