SCHEMBL2157125

SCHEMBL2157125

COC(=O)COc1cccc2c1cc(C1CC1)n2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 11/20 0.54
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CCR2 P41597 1/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MCL1 Q07820 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
SCHEMBL2156844 0.86 PLA2G2A (0.52) PLA2G2AHTT
SCHEMBL26613 0.84 PLA2G2A (0.59) PLA2G2AMTNR1AMTNR1BKDM4ENPC1
SCHEMBL2156774 0.83 MTNR1A (0.52) PLA2G2AMTNR1AMTNR1BMAPTCCR2
SCHEMBL25136 0.82 MTNR1B (0.60) PLA2G2AMTNR1AMTNR1BKDM4ENPC1
SCHEMBL13632216 0.79 MTNR1A (0.54) PLA2G2AMTNR1AMTNR1BKDM4ENPC1
SCHEMBL8504013 0.79 PLA2G2A (0.44) PLA2G2AMTNR1AMTNR1BKDM4EMAPT
SCHEMBL2156544 0.78 PLA2G2A (0.52) PLA2G2AMTNR1AMTNR1BKDM4ENPC1
SCHEMBL8504016 0.77 PLA2G2A (0.43) PLA2G2AMTNR1AMTNR1BKDM4EMAPT
SCHEMBL2156892 0.77 PLA2G2A (0.52) PLA2G2AMTNR1AMTNR1BKDM4ENPC1
SCHEMBL2156949 0.75 KDM4E (0.49) PLA2G2AMTNR1AMTNR1BKDM4ENPC1

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-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919810-A SEPTIC SHOCK 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