SCHEMBL4756149

SCHEMBL4756149

CCOC(CCC#N)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9858117 0.79 MEN1 (0.39) MEN1KMT2A
SCHEMBL15134535 0.78 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL24720928 0.77 ALDH1A1 (0.35) MEN1KMT2AALDH1A1TDP1
SCHEMBL25395739 0.76 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL15134540 0.76 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL5676535 0.74 ALDH1A1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL4383428 0.74 MEN1 (0.39) MEN1KMT2ATSHRALDH1A1TDP1
Water SCHEMBL28190510 0.73
SCHEMBL28307490 0.71 TSHR (0.39) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL9056475 0.70 MEN1 (0.50) MEN1KMT2ACASP1

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
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed