SCHEMBL2156949

SCHEMBL2156949

COC(=O)COc1cccc2c1cc(C)n2Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
PLA2G2A P14555 3/20 0.49
JAK2 O60674 1/20 0.49
CCR2 P41597 1/20 0.43
MAPT P10636 4/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 3/20 0.41

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 0.91 PLA2G2A (0.59) KDM4EPLA2G2ACCR2MAPTMTNR1A
SCHEMBL2156544 0.89 PLA2G2A (0.52) KDM4EPLA2G2ACCR2MAPTMTNR1A
SCHEMBL2156635 0.84 PLA2G2A (0.47) KDM4EPLA2G2ACCR2MAPTMTNR1A
SCHEMBL2156892 0.84 PLA2G2A (0.52) KDM4EPLA2G2ACCR2MAPTMTNR1A
SCHEMBL2156760 0.82 CCR2 (0.51) KDM4ECCR2MAPTMTNR1AMTNR1B
SCHEMBL3197253 0.81 MAPK1 (0.50) KDM4EPLA2G2AMAPTMTNR1AMTNR1B
SCHEMBL2157708 0.81 PLA2G2A (0.50) KDM4EPLA2G2AMAPTALDH1A1TSHR
SCHEMBL3203921 0.80 PLA2G2A (0.56) KDM4EPLA2G2AMAPTMTNR1AMTNR1B
SCHEMBL2156650 0.79 PLA2G2A (0.52) KDM4EPLA2G2AMAPTALDH1A1
SCHEMBL8502664 0.79 P2RX7 (0.44) KDM4EPLA2G2AMAPTALDH1A1LMNA

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