SCHEMBL9547290

SCHEMBL9547290

[CH2]CN(CC(N)=O)C(=O)OCC=C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL9547084 0.80 DPP4 (0.38) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL9547244 0.78 MAPT (0.41) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL9547259 0.78 MAPT (0.36) MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL9482612 0.77 CYP3A4 (0.39) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL9547251 0.76 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4TSHR
Hydrochloric Acid SCHEMBL9547367 0.76 MAPT (0.32) MAPTCACNA1BAPBA1TSHR
Hydrochloric Acid SCHEMBL9547154 0.73 TSHR (0.33) MAPTCACNA1BAPBA1TSHR
SCHEMBL1683063 0.72 ALDH1A1 (0.45) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL7252003 0.72 ALDH1A1 (0.41) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL9486295 0.71 TSHR (0.44) MAPTCACNA1BAPBA1CYP3A4TSHR

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
CN-1084173-A 1-azabicyclo [3,2,0] hept-2-ene\"-2-carboxylic acid derivative and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-23 CN claimed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO claimed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed