SCHEMBL6775683

SCHEMBL6775683

CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
CD38 P28907 1/20 0.40
MCL1 Q07820 8/20 0.39
BAD Q92934 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CMA1 P23946 1/20 0.39
PIK3C2B O00750 1/20 0.39
F10 P00742 1/20 0.38
KDM4E B2RXH2 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
MAPK8 P45983 1/20 0.36
LMNA P02545 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
SCHEMBL6894579 0.89 MAPK8 (0.45) PLA2G1BPLA2G2AMCL1BADMEN1
SCHEMBL6774281 0.88 PLA2G2A (0.40) PLA2G2ACD38MEN1KMT2AKDM4E
SCHEMBL6770455 0.87 CD38 (0.38) PLA2G2ACD38MEN1KMT2AAURKA
SCHEMBL6776187 0.87 ALDH1A1 (0.42) MEN1KMT2AKDM4EAURKARPS6KB1
SCHEMBL6775004 0.87 ALDH1A1 (0.42) PLA2G2ACD38MEN1KMT2AKDM4E
SCHEMBL6781636 0.87 MCL1 (0.45) PLA2G1BPLA2G2ACD38MCL1BAD
SCHEMBL6774469 0.85 PLA2G2A (0.41) PLA2G1BPLA2G2AKDM4ELMNA
SCHEMBL6777538 0.85 PLA2G2A (0.44) PLA2G1BPLA2G2AMCL1BAD
SCHEMBL6690888 0.85 MEN1 (0.47) PLA2G1BPLA2G2ACD38MCL1BAD
SCHEMBL6776083 0.85 PLA2G1B (0.42) 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