SCHEMBL9547288

SCHEMBL9547288

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.35
DPP4 P27487 2/20 0.34
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL9547277 0.83 ZDHHC20 (0.38) ZDHHC20ZDHHC2DPP4MAPTCACNA1B
SCHEMBL9547105 0.78 DPP4 (0.37) ZDHHC20ZDHHC2DPP4
SCHEMBL9547084 0.76 DPP4 (0.38) ZDHHC20ZDHHC2DPP4MAPTCACNA1B
SCHEMBL9547170 0.74 CYP3A4 (0.33) MAPTCACNA1BAPBA1
SCHEMBL9547177 0.73 CHRNB2 (0.36) MAPTCACNA1BAPBA1
SCHEMBL9547291 0.72 ZDHHC20 (0.40) ZDHHC20ZDHHC2DPP4MAPT
Hydrochloric Acid SCHEMBL9547093 0.71 TSHR (0.30)
SCHEMBL21445851 0.71 DPP4 (0.39) ZDHHC20ZDHHC2DPP4MAPTCACNA1B
SCHEMBL176184 0.71 CYP3A4 (0.43) MAPTCACNA1BAPBA1
SCHEMBL18671075 0.70 MAPT (0.39) ZDHHC20ZDHHC2MAPTCACNA1BAPBA1

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
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed