SCHEMBL4756759

SCHEMBL4756759

CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
DRD2 P14416 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK14 Q16539 2/20 0.47
ABL1 P00519 1/20 0.47
PDGFRB P09619 1/20 0.47
SRC P12931 1/20 0.47
PDGFRA P16234 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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
SCHEMBL8692644 0.84 POLB (0.55) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL28146075 0.82 MEN1 (0.60) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL12472249 0.81 ABL1 (0.49) MEN1KMT2ADRD2TSHRMAPK1
SCHEMBL13233342 0.81 CA1 (0.49) MEN1KMT2AMAPTLMNATDP1
SCHEMBL9524622 0.80 CYP1A2 (0.59) KMT2ATSHRMAPTLMNAL3MBTL1
SCHEMBL13936405 0.80 CA1 (0.49) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL8290128 0.80 HDAC3 (0.55) CA1CA2
SCHEMBL450618 0.80 CA1 (0.46) DRD2TSHRLMNATDP1L3MBTL1
SCHEMBL13900420 0.80 CA1 (0.48) MEN1KMT2AMAPK1LMNATDP1
SCHEMBL20180611 0.78 CASR (0.54) MEN1KMT2ATSHRMAPK1MAPT

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-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP disclosed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO disclosed