SCHEMBL6774016

SCHEMBL6774016

COC(=O)[C@H](CC(=O)S)c1cn(Cc2ccccc2)c2cccc(OC)c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PLA2G2A P14555 8/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ICMT O60725 1/20 0.40
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 1/20 0.39
APP P05067 1/20 0.38
SNCA P37840 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL6774009 1.00 POLB (0.46) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6774017 0.90 PLA2G2A (0.44) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6774011 0.90 PLA2G2A (0.44) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6775267 0.82 PLA2G2A (0.51) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6775272 0.82 PLA2G2A (0.51) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6776182 0.80 PLA2G2A (0.44) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6777313 0.80 PLA2G2A (0.44) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL7965269 0.78 PLA2G2A (0.60) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6781949 0.77 PLA2G2A (0.42) POLBUSP2ALDH1A1HSD17B10PLA2G2A
SCHEMBL6781671 0.75 PLA2G2A (0.49) PLA2G2AMTNR1AMTNR1BICMT

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 4 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
EP-0950661-B1 Substituted tricyclics useful in sPLA2 induced diseases LILLY CO ELI (US) 2003-11-12 EP disclosed
EP-1156050-A2 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 2001-11-21 EP disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed