SCHEMBL8358249

SCHEMBL8358249

CCCOC(=O)Cc1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.44
PKM P14618 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
LMNA P02545 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
FDPS P14324 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G4A P47712 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL8353844 0.91 L3MBTL1 (0.56) L3MBTL1ALDH1A1PKMLMNATRPM8
SCHEMBL2658210 0.88 PKM (0.51) ALDH1A1PKMSMN1; SMN2RAB9AMAPT
SCHEMBL6959399 0.80 HTT (0.46) ALDH1A1PKMSMN1; SMN2RAB9AMAPT
Hydrochloric Acid SCHEMBL27680689 0.78 HTT (0.45) ALDH1A1PKMSMN1; SMN2RAB9AMAPT
Bromide SCHEMBL5529731 0.78 HTT (0.45) ALDH1A1PKMSMN1; SMN2RAB9AMAPT
SCHEMBL9789365 0.76 FDPS (0.42) ALDH1A1PKMSMN1; SMN2RAB9AMAPT
SCHEMBL6959394 0.76 FDPS (0.42) ALDH1A1PKMSMN1; SMN2RAB9AMAPT
SCHEMBL930138 0.75 ALDH1A1 (0.56) L3MBTL1ALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL15897511 0.75 ALDH1A1 (0.42) ALDH1A1PKMSMN1; SMN2RAB9AMAPT
SCHEMBL27521697 0.75 ALDH1A1 (0.42) L3MBTL1ALDH1A1PKMSMN1; SMN2RAB9A

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-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed