SCHEMBL7168376

SCHEMBL7168376

CCc1cc(OCC(=O)O)c2c(C(=O)C(N)=O)c(CC)n(Cc3ccccc3)c2c1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.84
PLA2G1B P04054 8/20 0.84
PLA2G10 O15496 8/20 0.84
PLA2G2E Q9NZK7 8/20 0.84
PLA2G5 P39877 7/20 0.84
PLA2G2F Q9BZM2 5/20 0.78
PLA2G2D Q9UNK4 5/20 0.78
PLA2G6 O60733 1/20 0.78
PLA2G2C Q5R387 1/20 0.78
PLA2G12B Q9BX93 1/20 0.78
PLA2G12A Q9BZM1 1/20 0.78
PLA2G3 Q9NZ20 1/20 0.78

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
SCHEMBL8040246 0.94 PLA2G2A (0.81) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL5790532 0.91 PLA2G2A (1.00) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL8503435 0.90 PLA2G2A (0.98) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL8503441 0.90 PLA2G2A (0.98) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL5788255 0.90 PLA2G2A (0.81) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL7171715 0.90 PLA2G2A (0.81) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL8035727 0.90 PLA2G2A (0.77) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL8024037 0.89 PLA2G2A (0.78) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
SCHEMBL7164079 0.89 PLA2G2A (0.78) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5
Varespladib SCHEMBL29358982 0.88 PLA2G2A (1.00) PLA2G2APLA2G1BPLA2G10PLA2G2EPLA2G5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617460-B1 5-hydrocarbylsulfoxy-4,5,6,7-tetrahydroindol-4-one intermediates useful in the preparation of 1H-indole-3-glyoxamides. ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6570023-B1 Chemical intermediate for drug to threat sepsis shock, rheumatic diseases ELI LILLY AND COMPANY 2003-05-27 US disclosed
US-6380397-B1 HALOGENATION AN OXOESTER COMPOUND; HYDROLYSIS AND DECARBOXYLATION; ALKYLATION; AMINATION; REACTING OXALY CHLORIDE ELI LILLY AND COMPANY 2002-04-30 US disclosed
US-6265591-B1 HALOGENATING KETO ESTER COMPOUND; HYDROLYSIS AND DECARBOXYLATION; ALKYLATING; AMINATION AND DEHYDRATION TO FORM TRIKETO COMPOUND; AMINATING; OXIDATION, ALKYLATING; REACTING INDOLE DERIVATIVE WITH OXALYL CHLORIDE AND AMMONIA ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-5986106-A Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
EP-0887342-A2 Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1998-12-30 EP disclosed