SCHEMBL8055941

SCHEMBL8055941

CCC(=O)S[C@H](O)C[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SLC22A16 Q86VW1 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
TSHR P16473 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
TBXA2R P21731 1/20 0.33
LMNA P02545 3/20 0.32
CYP2C9 P11712 2/20 0.32
BLM P54132 2/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
GALR3 O60755 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1057053 1.00 MAPT (0.39) MAPTSLC22A16MEN1KMT2ACYP2C19
Iodide SCHEMBL5144330 0.98 MAPT (0.38) MAPTSLC22A16MEN1KMT2ACYP2C19
SCHEMBL570499 0.83 MAPT (0.36) MAPTSLC22A16MEN1KMT2ACYP2C19
SCHEMBL1902716 0.83 MAPT (0.36) MAPTSLC22A16MEN1KMT2ACYP2C19
Iodide SCHEMBL608287 0.82 MAPT (0.35) MAPTSLC22A16MEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL8827832 0.82 MAPT (0.39) MAPTSLC22A16MEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL5450059 0.82 MAPT (0.39) MAPTSLC22A16MEN1KMT2ACYP2C19
SCHEMBL77665 0.77 MAPT (0.41) MAPTSLC22A16MEN1KMT2ACYP2C19
SCHEMBL6153646 0.77 MAPT (0.41) MAPTSLC22A16MEN1KMT2ACYP2C19
Water SCHEMBL16322375 0.76 MAPT (0.40) MAPTSLC22A16MEN1KMT2ACYP2C19

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-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 EP claimed
EP-0674233-B1 Recording sheets XEROX CORP (US) 2000-05-24 EP claimed