SCHEMBL7817138

SCHEMBL7817138

[CH2]CNC(=O)OCc1cccc(C(=O)OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
RAB9A P51151 6/20 0.52
MAPT P10636 5/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEP1B Q16820 1/20 0.51
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 2/20 0.45
NAMPT P43490 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL5544912 0.80 CYP4F2 (0.71) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL129800 0.80 CYP4F2 (0.66) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL23635693 0.79 CYP4F2 (0.64) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL27980684 0.79 CYP4F2 (0.64) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL129801 0.78 CYP4F2 (0.71) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL4508966 0.77 CYP4F2 (0.66) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL27925942 0.77 CYP4F2 (0.58) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL28245975 0.76 CYP4F2 (0.57) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL128387 0.75 CYP4F2 (0.72) CYP4F2CYP4A11RAB9AMAPTNPC1
SCHEMBL2089661 0.75 CYP4F2 (0.68) CYP4F2CYP4A11RAB9AMAPTNPC1

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-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO disclosed