SCHEMBL7719953

SCHEMBL7719953

CCC(=O)OC(CCl)CC#N

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL9833994 0.86 MAPT (0.39) MEN1KMT2AMAPTMAPK1
SCHEMBL15520436 0.82 MEN1 (0.46) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL7716828 0.81 AR (0.35) MEN1KMT2AMAPT
SCHEMBL7719955 0.81 AR (0.35) MEN1KMT2AMAPT
SCHEMBL7723645 0.81 AR (0.35) MEN1KMT2AMAPT
SCHEMBL4643109 0.75 TSHR (0.35)
SCHEMBL28797081 0.72 MAPT (0.34) MAPTMAPK1
SCHEMBL28797083 0.72 MAPT (0.34) MAPTMAPK1
SCHEMBL8744242 0.69 ALDH1A1 (0.30) MEN1CYP2C19RECQLKMT2A
SCHEMBL6785594 0.68 MEN1 (0.48) MEN1CYP2C19RECQLKMT2AMAPT

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
US-6395535-B1 HYDROLYSIS IN PRESENCE OF PSEUDOMONAS, ENTEROBACTOR DAISO CO., LTD. (JP) 2002-05-28 US disclosed