SCHEMBL5764178

SCHEMBL5764178

CCc1cc2c(OCC(=O)OC)nc(SC)nc2n1Cc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G2A P14555 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
SRC P12931 2/20 0.36
TP53 P04637 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
PDE1C Q14123 2/20 0.35

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
SCHEMBL5764508 0.90 PPARG (0.40) MAPTPLA2G2ATSHRALDH1A1HSD17B10
SCHEMBL5765021 0.90 GAA (0.38) MAPTPLA2G2AHTTALDH1A1HSD17B10
SCHEMBL5762337 0.84 MAPT (0.41) MAPTL3MBTL1PLA2G2AALDH1A1POLB
SCHEMBL5763363 0.81 ALOX5AP (0.42) MAPTHTTRXFP1ALDH1A1POLB
SCHEMBL5764971 0.80 PLA2G1B (0.40) MAPTPLA2G2AALDH1A1POLB
SCHEMBL5765690 0.80 PLA2G2A (0.48) PLA2G2A
SCHEMBL5764324 0.78 ALDH1A1 (0.47) MAPTHTTTSHRRXFP1ALDH1A1
SCHEMBL5766775 0.78 PLA2G2A (0.40) MAPTPLA2G2ATSHRALDH1A1TP53
SCHEMBL5765093 0.73 PTGDR2 (0.42) MAPTPLA2G2AHTTALDH1A1HSD17B10
SCHEMBL5765082 0.73 PKM (0.43) MAPTPLA2G2ATSHRALDH1A1POLB

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