SCHEMBL28914636

SCHEMBL28914636

COC(=O)CCC(=O)O.c1scc2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 8/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 4/20 0.36
ESRRB O95718 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 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
Propionic Acid SCHEMBL23529449 0.78 ATM (0.43) SMN1; SMN2TSHRPKMALDH1A1HSD17B10
Acetic Acid Methyl Ester SCHEMBL28914604 0.78 CYP1A2 (0.43) SMN1; SMN2PKMALDH1A1HSD17B10MAPT
Bicarbonate SCHEMBL6623191 0.75 BAZ2B (0.39) SMN1; SMN2TSHRPKMMAPTHTT
SCHEMBL2297595 0.73 SMN1; SMN2 (0.39) SMN1; SMN2TSHRALDH1A1HSD17B10HTT
SCHEMBL28270066 0.73 TSHR (0.77) TSHRALDH1A1HSD17B10MAPTHTT
Succinic Acid SCHEMBL18063898 0.73 TSHR (0.77) TSHRALDH1A1HSD17B10MAPTHTT
SCHEMBL164072 0.73
Dimethyl Succinate SCHEMBL28606769 0.73 TSHR (0.77) TSHRALDH1A1HSD17B10MAPTHTT
Dimethyl Succinate SCHEMBL28154694 0.73 TSHR (0.77) TSHRALDH1A1HSD17B10MAPTHTT
Dimethyl Succinate SCHEMBL20335703 0.73 TSHR (0.77) TSHRALDH1A1HSD17B10MAPTHTT

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-110922810-B Conductive polymer 3D printing ink and preparation method thereof 江西科技师范大学 2022-04-29 CN disclosed