SCHEMBL5209367

SCHEMBL5209367

CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.NC(=O)c1sc2c(c1C(=O)OCc1ccccc1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FLT3 P36888 4/20 0.34
CXCR2 P25025 1/20 0.34
MAPT P10636 4/20 0.34
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLS O94925 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 3/20 0.33
MGAM O43451 2/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
AMY1A P0DUB6 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
SCHEMBL5207716 0.92 MEN1 (0.37) RXFP1FLT3CXCR2MAPTALDH1A1
SCHEMBL5203984 0.80 ALDH1A1 (0.41) RXFP1FLT3MAPTCNR2ALDH1A1
Trifluoroacetic Acid SCHEMBL5207834 0.79 PDE4D (0.41) PDE4DMAPTCNR2ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5280152 0.79 ALDH1A1 (0.40) RXFP1FLT3MAPTCNR2ALDH1A1
SCHEMBL5214004 0.79 HDAC1 (0.45) GLS
Trifluoroacetic Acid SCHEMBL5628234 0.78 ALDH1A1 (0.38) RXFP1FLT3MAPTCNR2ALDH1A1
Trifluoroacetic Acid SCHEMBL5207793 0.77 PDE4D (0.40) PDE4DMAPTCNR2ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5207372 0.77 RORC (0.47) FLT3MAPTKMT2ANPC1RAB9A
Trifluoroacetic Acid SCHEMBL5209718 0.75 FLT3 (0.39) RXFP1FLT3MAPTALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5204002 0.75 FLT3 (0.38) RXFP1FLT3MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed