SCHEMBL5765093

SCHEMBL5765093

CCc1cc2c(OCC(=O)OC)ncnc2n1Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
PDE1B Q01064 4/20 0.39
PLA2G2A P14555 4/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLA2G1B P04054 1/20 0.38
P2RX7 Q99572 1/20 0.37
TP53 P04637 1/20 0.37
PTGES O14684 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL5765082 0.91 PKM (0.43) PLA2G2AMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5762337 0.89 MAPT (0.41) PDE1BPLA2G2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5764801 0.86 AURKA (0.42) MAPTSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL5765021 0.84 GAA (0.38) PTGDR2PLA2G2AMAPTKMT2AMEN1
SCHEMBL4757197 0.79 MTNR1B (0.52) PLA2G2AMAPTALDH1A1PLA2G1BTP53
SCHEMBL5762171 0.78 PLA2G1B (0.42) PLA2G2AMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5763144 0.78 PLA2G2A (0.57) PLA2G2APLA2G1B
SCHEMBL5766775 0.77 PLA2G2A (0.40) PLA2G2AMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5764508 0.75 PPARG (0.40) PLA2G2AMAPTKMT2AKDM4EALDH1A1
SCHEMBL5764178 0.73 MAPT (0.40) PDE1BPLA2G2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed