SCHEMBL6777313

SCHEMBL6777313

CCOC(=O)C(COC)c1cn(Cc2ccccc2)c2cccc(OC)c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.44
F2RL3 Q96RI0 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ICMT O60725 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
SCHEMBL6781949 0.91 PLA2G2A (0.42) PLA2G2AF2RL3USP2ALDH1A1POLB
SCHEMBL6776182 0.91 PLA2G2A (0.44) PLA2G2AF2RL3USP2ALDH1A1POLB
SCHEMBL6774009 0.80 POLB (0.46) PLA2G2AUSP2ALDH1A1POLBHSD17B10
SCHEMBL6774016 0.80 POLB (0.46) PLA2G2AUSP2ALDH1A1POLBHSD17B10
SCHEMBL6774017 0.80 PLA2G2A (0.44) PLA2G2AUSP2ALDH1A1POLBHSD17B10
SCHEMBL6774011 0.80 PLA2G2A (0.44) PLA2G2AUSP2ALDH1A1POLBHSD17B10
SCHEMBL6775267 0.79 PLA2G2A (0.51) PLA2G2AUSP2ALDH1A1POLBHSD17B10
SCHEMBL6775272 0.79 PLA2G2A (0.51) PLA2G2AUSP2ALDH1A1POLBHSD17B10
SCHEMBL7965269 0.78 PLA2G2A (0.60) PLA2G2AUSP2ALDH1A1POLBHSD17B10
SCHEMBL6775439 0.72 PLA2G2A (0.61) PLA2G2AMTNR1AMTNR1BTP53MAPT

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 5 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
EP-0950661-A1 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed