SCHEMBL7524699

SCHEMBL7524699

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.50
ZDHHC20 Q5W0Z9 3/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.37
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7023419 0.84 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AHCAR2
SCHEMBL7522465 0.83 DPP4 (0.53) DPP4ZDHHC20ZDHHC2ALDH1A1MAPT
Methyl Alcohol SCHEMBL11376423 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHCAR2
SCHEMBL18306605 0.79 DPP4 (0.56) DPP4ZDHHC20ZDHHC2ALDH1A1CYP1A2
SCHEMBL29021084 0.77 ALDH1A1 (0.42) ALDH1A1TSHRMAPTHCAR2SMN1; SMN2
SCHEMBL649921 0.77 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHCAR2
SCHEMBL9547291 0.77 ZDHHC20 (0.40) DPP4ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL11643724 0.76 ALDH1A1 (0.39) DPP4ALDH1A1TSHRCYP2C9MAPT
SCHEMBL1077649 0.76 ALDH1A1 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPT
SCHEMBL9473559 0.76 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHCAR2

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