SCHEMBL4789355

SCHEMBL4789355

CCc1cc2c(OCC(=O)OC)cccc2n1Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.46
PLA2G2A P14555 1/20 0.46
MTNR1B P49286 4/20 0.44
MTNR1A P48039 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.41
BAD Q92934 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OGG1 O15527 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
SCHEMBL2157708 0.88 PLA2G2A (0.50) PLA2G1BPLA2G2AALDH1A1HPGDL3MBTL1
SCHEMBL2157014 0.86 PLA2G2A (0.52) PLA2G1BPLA2G2AMTNR1BMTNR1APSEN1
SCHEMBL25136 0.85 MTNR1B (0.60) PLA2G1BPLA2G2AMTNR1BMTNR1APSEN1
SCHEMBL4757197 0.80 MTNR1B (0.52) PLA2G1BPLA2G2AMTNR1BMTNR1AALDH1A1
SCHEMBL2157143 0.79 PLA2G2A (0.53) PLA2G1BPLA2G2AMTNR1BMTNR1APSEN1
SCHEMBL5696902 0.77 PSEN1 (0.43) PLA2G1BPLA2G2AMTNR1BMTNR1AALDH1A1
SCHEMBL5696981 0.76 PLA2G2A (0.49) PLA2G1BPLA2G2AMTNR1BMTNR1AHPGD
SCHEMBL5162627 0.76 ALDH1A1 (0.68) ALDH1A1HPGDL3MBTL1CYP2C19TSHR
SCHEMBL14620974 0.74 MTNR1B (0.52) PLA2G1BPLA2G2AMTNR1BMTNR1AALDH1A1
SCHEMBL5697008 0.74 MTNR1A (0.52) PLA2G1BPLA2G2AMTNR1BMTNR1APSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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