SCHEMBL6771968

SCHEMBL6771968

CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(Oc4ccccc4)c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.38
YWHAH Q04917 2/20 0.38
FFAR1 O14842 2/20 0.38
PTGES O14684 1/20 0.37
FAAH O00519 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR8 P51685 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL6689186 0.90 PLA2G2A (0.46) PLA2G2A
SCHEMBL6892310 0.90 FAAH (0.41) YWHAHFFAR1PTGESFAAHALDH1A1
SCHEMBL6776978 0.88 PLA2G2A (0.42) PLA2G2AFAAHSIRT2SIRT1KDM4E
SCHEMBL6774350 0.88 PLA2G2A (0.40) PLA2G2A
SCHEMBL6775435 0.88 PLA2G2A (0.40) PLA2G2AFAAHSIRT2SIRT1KDM4E
SCHEMBL6780031 0.88 PLA2G2A (0.44) PLA2G2A
SCHEMBL6696960 0.87 PLA2G2A (0.47) PLA2G2AFAAHSIRT2SIRT1KDM4E
SCHEMBL7954113 0.87 PLA2G2A (0.45) PLA2G2AFFAR1
SCHEMBL6778086 0.87 F10 (0.40) PLA2G2A
SCHEMBL6770280 0.87 PLA2G2A (0.40) PLA2G2APTGESFAAHSIRT2SIRT1

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