SCHEMBL6897075

SCHEMBL6897075

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.41
FAAH O00519 3/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
CFTR P13569 4/20 0.39
PTGS1 P23219 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR8 P51685 2/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL5212605 0.93 MAPK8 (0.42) PPARGPPARAALDH1A1
SCHEMBL6896777 0.91 FAAH (0.44) FAAHALDH1A1CCR8
SCHEMBL6776640 0.90 CETP (0.41) CETPPPARGPPARACFTR
SCHEMBL6889205 0.90 MAPK8 (0.41) PPARGPPARAHDAC1
SCHEMBL6888047 0.90 CNR1 (0.38) PPARGPPARAALDH1A1
SCHEMBL6888714 0.89 TSPO (0.39)
SCHEMBL6897889 0.89 CNR2 (0.38) PPARG
SCHEMBL6896800 0.88 MAPT (0.43) ALDH1A1
SCHEMBL6891901 0.88 PLA2G2A (0.43)
SCHEMBL6889327 0.88 MAPT (0.41) ALDH1A1

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