SCHEMBL14609262

SCHEMBL14609262

CC[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
CTSS P25774 5/20 0.44
IDO1 P14902 1/20 0.42
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 1/20 0.36
CCKAR P32238 1/20 0.36
CCKBR P32239 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
SCHEMBL9565659 0.84 CTSS (0.47) CTSKCTSSIDO1ALDH1A1KDM4E
SCHEMBL7301432 0.84 CTSS (0.47) CTSKCTSSIDO1ALDH1A1KDM4E
SCHEMBL28499087 0.83 EPHX2 (0.39) IDO1GAAKDM4EGLAMAPT
SCHEMBL28799343 0.83 TDP1 (0.44) GAAMAPTKMT2AMEN1HDAC4
SCHEMBL6741998 0.81 CTSK (0.42) CTSKCTSSIDO1GAAALDH1A1
SCHEMBL4174487 0.79 CTSK (0.46) CTSKCTSSIDO1GAAALDH1A1
SCHEMBL12767866 0.75 CTSK (0.52) CTSKCTSSTSHRCYP1A2CYP2C9
SCHEMBL9315139 0.74 IDO1 (0.45) CTSKCTSSIDO1GAACYP1A2
SCHEMBL8527595 0.73 CTSS (0.51) CTSKCTSSIDO1KMT2ACTSL
SCHEMBL1001000 0.73 GAA (0.40) GAAALDH1A1TSHRKMT2AMEN1

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-1501795-B1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed