SCHEMBL28215252

SCHEMBL28215252

C=C(C)C(=O)OCC.NC(=O)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
SCN2A Q99250 1/20 0.42
ELANE P08246 1/20 0.41

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
SCHEMBL28611986 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTTSHRATM
SCHEMBL28499074 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTTSHRATM
Benzophenone SCHEMBL28224230 0.81 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9421400 0.81 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MAPTTSHRKDM4E
SCHEMBL20100442 0.78 ATM (0.55) SMN1; SMN2ALDH1A1MAPTATMKDM4E
SCHEMBL28926828 0.77 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTTSHRATM
Aniline SCHEMBL1256544 0.77 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTTSHRLMNA
Propionamide SCHEMBL27567530 0.77 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
Biphenyl SCHEMBL27587021 0.77 MAPT (0.57) SMN1; SMN2ALDH1A1MAPTTSHRKDM4E
SCHEMBL28089085 0.77 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTTSHRNPC1

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
CN-108017784-A Hydridization conductive hydrogel its preparation method and application 深圳市沃特新材料股份有限公司 2018-05-11 CN disclosed