SCHEMBL8504973

SCHEMBL8504973

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.47
PLA2G10 O15496 1/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PPARG P37231 5/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
MCL1 Q07820 2/20 0.37
BAD Q92934 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
PLEC Q15149 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8502335 0.92 PPARG (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5MTNR1A
SCHEMBL8502681 0.88 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5PPARG
SCHEMBL8502661 0.85 MTNR1A (0.53) PLA2G2AMTNR1AMTNR1BPPARGKDM4E
SCHEMBL8502655 0.83 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5PPARG
SCHEMBL2157014 0.80 PLA2G2A (0.52) PLA2G2APLA2G10PLA2G1BPLA2G5MTNR1A
SCHEMBL8505425 0.80 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5MTNR1A
SCHEMBL2156559 0.79 MTNR1B (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5MTNR1A
SCHEMBL2156481 0.79 PLA2G2A (0.42) PLA2G2APLA2G10PLA2G1BPLA2G5PPARG
SCHEMBL8504915 0.77 PLA2G2A (0.68) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL8502436 0.77 MTNR1A (0.46) PLA2G2APLA2G1BMTNR1AMTNR1BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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