SCHEMBL7523722

SCHEMBL7523722

C#CC(C)N(CC#N)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.32
HTT P42858 2/20 0.31

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
SCHEMBL7524527 0.83 DPP4 (0.34) DPP4
SCHEMBL7518459 0.71 DPP4 (0.39) ALDH1A1LMNAHSD17B10L3MBTL1MEN1
SCHEMBL10957529 0.70 DPP4 (0.43) ALDH1A1LMNAHSD17B10L3MBTL1MEN1
SCHEMBL8566391 0.68 CTSS (0.37) LMNAMEN1KMT2ADPP4CYP2C9
SCHEMBL20306165 0.65 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL11351147 0.65 MEN1 (0.44) ALDH1A1LMNAHSD17B10L3MBTL1MEN1
Formic Acid SCHEMBL6611494 0.65 DPP4 (0.35) ALDH1A1DPP4
SCHEMBL8961040 0.64 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3298428 0.63 DPP4 (0.37) MEN1KMT2ADPP4HTT
SCHEMBL22762835 0.63 HDAC6 (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816342-B1 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL CO (JP) 2002-02-27 EP disclosed
US-5883260-A Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 US disclosed
EP-0816342-A2 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-07 EP disclosed