SCHEMBL6776083

SCHEMBL6776083

CCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
CD38 P28907 1/20 0.41
MCL1 Q07820 7/20 0.40
BAD Q92934 7/20 0.40
F10 P00742 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CMA1 P23946 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 3/20 0.39
PARP1 P09874 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
SCHEMBL6896536 0.90 MAPK8 (0.47) PLA2G1BPLA2G2AMCL1BADF10
SCHEMBL6778112 0.90 PPARG (0.40) PLA2G1BPLA2G2ACD38MCL1BAD
SCHEMBL6781636 0.88 MCL1 (0.45) PLA2G1BPLA2G2ACD38MCL1BAD
SCHEMBL6780594 0.88 MEN1 (0.43) PLA2G1BPLA2G2ACD38MEN1KMT2A
SCHEMBL6773681 0.87 ALDH1A1 (0.42) MEN1KMT2AKDM4E
SCHEMBL6776238 0.87 CD38 (0.38) PLA2G1BPLA2G2ACD38MEN1KMT2A
SCHEMBL6771810 0.87 ALDH1A1 (0.42) PLA2G2ACD38F10MEN1KMT2A
SCHEMBL6690888 0.86 MEN1 (0.47) PLA2G1BPLA2G2ACD38MCL1BAD
SCHEMBL6776234 0.86 PLA2G2A (0.47) PLA2G1BPLA2G2APARP1
SCHEMBL6775459 0.86 MCL1 (0.48) PLA2G1BPLA2G2ACD38MCL1BAD

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