SCHEMBL2156544

SCHEMBL2156544

COC(=O)COc1cccc2c1cc(C)n2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.52
PLA2G1B P04054 3/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
PPARG P37231 2/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR2 P41597 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G5 P39877 1/20 0.43
PLA2G2E Q9NZK7 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL26613 0.93 PLA2G2A (0.59) PLA2G2APLA2G1BKDM4EMAPTALDH1A1
SCHEMBL2156892 0.93 PLA2G2A (0.52) PLA2G2APLA2G1BKDM4EMAPTMEN1
SCHEMBL2156949 0.89 KDM4E (0.49) PLA2G2AKDM4EMAPTALDH1A1MTNR1A
SCHEMBL2156650 0.85 PLA2G2A (0.52) PLA2G2APLA2G1BKDM4EMAPTMEN1
SCHEMBL3197253 0.84 MAPK1 (0.50) PLA2G2APLA2G1BKDM4EMAPTALDH1A1
SCHEMBL3203921 0.83 PLA2G2A (0.56) PLA2G2APLA2G1BKDM4EMAPTALDH1A1
SCHEMBL2156783 0.83 CCR2 (0.52) PLA2G2APLA2G1BKDM4EMAPTALDH1A1
SCHEMBL2156635 0.83 PLA2G2A (0.47) PLA2G2AKDM4EMAPTALDH1A1KMT2A
SCHEMBL2157708 0.81 PLA2G2A (0.50) PLA2G2APLA2G1BKDM4EMAPTMEN1
SCHEMBL25136 0.81 MTNR1B (0.60) PLA2G2APLA2G1BKDM4EMAPTMTNR1A

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