SCHEMBL6778112

SCHEMBL6778112

CCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
CNR2 P34972 10/20 0.39
CNR1 P21554 5/20 0.39
SLC6A3 Q01959 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39
CD38 P28907 1/20 0.38
F10 P00742 1/20 0.38
MCL1 Q07820 2/20 0.37
BAD Q92934 2/20 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
SCHEMBL6894406 0.90 MAPK8 (0.42) CNR2CNR1SLC6A3GUCY1A1GUCY1B1
SCHEMBL6776083 0.90 PLA2G1B (0.42) CNR2PLA2G1BPLA2G2ACD38F10
SCHEMBL6778663 0.89 CNR2 (0.42) PPARGCNR2CNR1PLA2G2ACD38
SCHEMBL6782670 0.88 ALDH1A1 (0.39) PPARGCNR2CNR1
SCHEMBL6771775 0.88 PPARG (0.39) PPARGCNR2CNR1CD38
SCHEMBL6775148 0.88 CNR1 (0.42) PPARGCNR2CNR1PLA2G2A
SCHEMBL6778298 0.87 CNR1 (0.43) PPARGCNR2CNR1PLA2G1BPLA2G2A
SCHEMBL5212214 0.87 PPARG (0.46) PPARGPLA2G2A
SCHEMBL6776818 0.86 PPARG (0.45) PPARGPLA2G1BPLA2G2A
SCHEMBL6776370 0.86 PPARG (0.44) PPARGCNR2F10

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