SCHEMBL7521208

SCHEMBL7521208

CCCCN(CC#N)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.51
ZDHHC2 Q9UIJ5 1/20 0.51
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
DPP4 P27487 3/20 0.37
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
KDM5A P29375 3/20 0.33

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
SCHEMBL304950 0.82 CA1 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL29033807 0.79 CA12 (0.39) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL16091402 0.79 CA12 (0.55) CA12CA1CA9MMP1MMP2
SCHEMBL7956550 0.77 CA12 (0.45) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL25511856 0.76 ZDHHC20 (0.56) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL17207012 0.76 DPP4 (0.40) ZDHHC20ZDHHC2DPP4ELANECYP1A2
SCHEMBL25224503 0.75 CA12 (0.47) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL25227711 0.75 CA12 (0.47) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL25227867 0.75 CA12 (0.47) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL7954410 0.75 CA12 (0.47) ZDHHC20ZDHHC2CA12CA1CA9

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