SCHEMBL9251998

SCHEMBL9251998

C=CCOC(=S)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
POLB P06746 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9513 0.78 TSHR (0.50) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL5702374 0.77 TSHR (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL2221470 0.77 TSHR (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
Hydrochloric Acid SCHEMBL28225884 0.77 TSHR (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
Acetone SCHEMBL28861611 0.77 TSHR (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL1616122 0.77 TSHR (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL5134550 0.77 TSHR (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
Acetic Acid SCHEMBL28081680 0.75 TSHR (0.47) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL9286605 0.75 MAPT (0.36) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL11668025 0.75 MAPT (0.36) MAPTTSHRCACNA1BAPBA1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295789-B1 Polyolefinic succinimide polyamine alkyl acetoacetate adduct dispersants EXXON CHEMICAL PATENTS INC (US) 1995-05-31 EP claimed
EP-0295789-B1 Polyolefinic succinimide polyamine alkyl acetoacetate adduct dispersants EXXON CHEMICAL PATENTS INC (US) 1995-05-31 EP disclosed