SCHEMBL9547291

SCHEMBL9547291

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
DPP4 P27487 3/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 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
SCHEMBL3176236 0.86 TSHR (0.39) ALDH1A1SMN1; SMN2TSHRCA12CA1
SCHEMBL9547084 0.81 DPP4 (0.38) ZDHHC20ZDHHC2TSHRDPP4CYP1A2
SCHEMBL7524699 0.77 DPP4 (0.50) ZDHHC20ZDHHC2ALDH1A1SMN1; SMN2TSHR
SCHEMBL9547277 0.76 ZDHHC20 (0.38) ZDHHC20ZDHHC2DPP4CYP3A4MAPT
SCHEMBL3170799 0.75 TSHR (0.40) TSHRTDP1
SCHEMBL3170526 0.73 TSHR (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRNPSR1
SCHEMBL7524652 0.73 ALDH1A1 (0.40) ZDHHC20ZDHHC2ALDH1A1SMN1; SMN2TSHR
SCHEMBL9547288 0.72 ZDHHC20 (0.39) ZDHHC20ZDHHC2DPP4MAPT
SCHEMBL3160765 0.72 TSHR (0.36) ALDH1A1TSHRMAPTTDP1
SCHEMBL3177444 0.71 TSHR (0.37) TSHRTDP1

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