SCHEMBL9201635

SCHEMBL9201635

CC(C)(C)OC(=O)CCNC=S(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
MLYCD O95822 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 2/20 0.31
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL308857 0.79 EPHX2 (0.39) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL17222818 0.74 EPHX2 (0.40) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL3485766 0.74 EPHX2 (0.40) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL16664772 0.73 HDAC6 (0.37) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL410766 0.72 EPHX2 (0.39) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL16887385 0.72 EPHX2 (0.39) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL10209390 0.71 EPHX2 (0.38) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL10433180 0.71 EPHX2 (0.38) EPHX2MLYCDHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL2842708 0.71 EPHX2 (0.38) EPHX2MLYCDHDAC3HDAC1HDAC2
SCHEMBL10045818 0.71 EPHX2 (0.38) EPHX2MLYCDHDAC3HDAC1HDAC2

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-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed