SCHEMBL5763363

SCHEMBL5763363

CCc1cc2c(OCC(=O)OC)nc(SC)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
KIF11 P52732 10/20 0.41
CYP2C9 P11712 2/20 0.38
RXFP1 Q9HBX9 1/20 0.36
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
MAP4K1 Q92918 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5764971 0.85 PLA2G1B (0.40) POLBALDH1A1MAPT
SCHEMBL5764508 0.85 PPARG (0.40) ABL1SRCPOLBALDH1A1KDM4E
SCHEMBL5764673 0.84 LMNA (0.37) POLBHTTMAPT
SCHEMBL5764178 0.81 MAPT (0.40) RXFP1ABL1SRCPOLBALDH1A1
SCHEMBL5765021 0.79 GAA (0.38) CYP2C9POLBALDH1A1KDM4EHTT
SCHEMBL5763976 0.79 PLA2G2A (0.40) ALOX5APKIF11CYP2C9
SCHEMBL5766775 0.72 PLA2G2A (0.40) ALDH1A1KDM4EMAPT
SCHEMBL5765497 0.70 PLA2G2A (0.47)
SCHEMBL5762171 0.70 PLA2G1B (0.42) POLBALDH1A1KDM4EMAPT
SCHEMBL5763931 0.69 HSP90AA1 (0.40) POLBHSP90AA1ALDH1A1KDM4E

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