SCHEMBL2157014

SCHEMBL2157014

CCc1cc2c(OCC(=O)OC)cccc2n1Cc1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.52
PLA2G1B P04054 8/20 0.49
PLA2G10 O15496 1/20 0.48
PLA2G5 P39877 1/20 0.48
MTNR1B P49286 3/20 0.45
MTNR1A P48039 2/20 0.45
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL2157143 0.92 PLA2G2A (0.53) PLA2G2APLA2G1BPLA2G10PLA2G5MTNR1B
SCHEMBL5696981 0.90 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5MTNR1B
SCHEMBL2156650 0.88 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL4789355 0.86 PLA2G1B (0.46) PLA2G2APLA2G1BMTNR1BMTNR1APSEN1
SCHEMBL25136 0.86 MTNR1B (0.60) PLA2G2APLA2G1BPLA2G10PLA2G5MTNR1B
SCHEMBL2156559 0.84 MTNR1B (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5MTNR1B
SCHEMBL2156844 0.84 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL5697202 0.83 PLA2G2A (0.43) PLA2G2APLA2G1BPLA2G10PLA2G5MTNR1B
SCHEMBL8504973 0.80 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10PLA2G5MTNR1B
SCHEMBL5762171 0.79 PLA2G1B (0.42) PLA2G2APLA2G1BPLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341045-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid (acyloxy)alkyl or ((alkoxycarbonyl)oxy)alkyl ester as SPLA2 inhibitor Eli Lilly and Company (US) 2011-07-06 EP disclosed
EP-1950200-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid methyl ester as sPLA2 inhibitor ELI LILLY AND COMPANY (US) 2008-07-30 EP disclosed
US-6433001-B1 SEPTIC SHOCK, ALLERGIC RHINITIS, RHEUMATIC ARTHRITIS, ADULT RESPIRATORY DISTRESS SYNDROME, BRONCHIAL ASTHMA, TRAUMA, AND PANCREATITIS TREATMENT ELI LILLY AND COMPANY 2002-08-13 US disclosed
EP-0675110-B1 1H-Indole-3-glyoxylamide sPLA2 inhibitors LILLY CO ELI (US) 2002-07-10 EP disclosed
EP-1197484-A2 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2002-04-17 EP disclosed
EP-1081135-A2 1H-indole-3-glyoxylamide spla2 inhibitors ELI LILLY AND COMPANY (US) 2001-03-07 EP disclosed
US-6175021-B1 HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 (SPLA2); INHIBITS RELEASE OF ARACHIDONIC ACID TO TREAT SEPTIC SHOCK; ((3-(2-AMINO-1,2-DIOXOETHYL)-2-METHYL-1-(PHENYLMETHYL)-1H-INDOL-4 -YL)OXYLACETIC ACID, FOR EXAMPLE ELI LILLY AND COMPANY 2001-01-16 US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
EP-0675110-A1 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1995-10-04 EP disclosed