SCHEMBL5764508

SCHEMBL5764508

CCc1cc2c(OCC(=O)OC)nc(SC)nc2n1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.37
PLA2G2A P14555 3/20 0.37
FYN P06241 2/20 0.36
SRC P12931 2/20 0.36
FLT3 P36888 2/20 0.36
PKM P14618 1/20 0.36
ABL1 P00519 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL5765021 0.92 GAA (0.38) NPSR1POLBALDH1A1MAPTHPGD
SCHEMBL5764178 0.90 MAPT (0.40) TSHRPOLBALDH1A1MAPTHSD17B10
SCHEMBL5764673 0.88 LMNA (0.37) PPARGTSHRPOLBMAPT
SCHEMBL5764971 0.87 PLA2G1B (0.40) PPARGPOLBALDH1A1MAPTPLA2G2A
SCHEMBL5766775 0.87 PLA2G2A (0.40) TSHRALDH1A1MAPTKMT2APLA2G2A
SCHEMBL5763363 0.85 ALOX5AP (0.42) POLBALDH1A1MAPTSRCABL1
SCHEMBL5765082 0.83 PKM (0.43) TSHRPOLBALDH1A1MAPTKMT2A
SCHEMBL5762802 0.77 ALDH1A1 (0.47) PPARGTSHRNPSR1POLBALDH1A1
SCHEMBL5766050 0.77 PLA2G2A (0.53) PLA2G2A
SCHEMBL5765093 0.75 PTGDR2 (0.42) ALDH1A1MAPTHPGDKMT2AHSD17B10

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