SCHEMBL6775770

SCHEMBL6775770

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
PARP1 P09874 3/20 0.38
PARP2 Q9UGN5 1/20 0.38
PLA2G2A P14555 2/20 0.38
MAPK8 P45983 1/20 0.37
PARP15 Q460N3 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
POLB P06746 1/20 0.35
PARP10 Q53GL7 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
F2 P00734 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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) PARP1PLA2G2A
SCHEMBL6775864 0.89 ADRA1D (0.41) F10PARP1PARP2PLA2G2AMAPK8
SCHEMBL6897629 0.88 POLB (0.36) F10MAPK8ERCC5FEN1POLB
SCHEMBL6771712 0.88 PLA2G2A (0.51) F10PLA2G2A
SCHEMBL6776450 0.88 LMNA (0.39) F10PLA2G2AMAPK8FEN1POLB
SCHEMBL6780031 0.87 PLA2G2A (0.44) F10PLA2G2A
SCHEMBL6774350 0.87 PLA2G2A (0.40) F10PLA2G2A
SCHEMBL6775492 0.87 PLA2G2A (0.41) F10PARP1PARP2PLA2G2AMAPK8
SCHEMBL6778315 0.86 F10 (0.46) F10PARP1PARP2PLA2G2AMAPK8
SCHEMBL6778086 0.86 F10 (0.40) F10PLA2G2AF2

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