SCHEMBL9336299

SCHEMBL9336299

CSC(=S)N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPG P10696 8/20 0.59
ALPL P05186 7/20 0.59
NSD2 O96028 5/20 0.52
GAA P10253 4/20 0.52
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
GFER P55789 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
PLAA Q9Y263 5/20 0.45
ALPI P09923 3/20 0.42
HTR2A P28223 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL9256725 0.99 ALPG (0.61) ALPGALPLNSD2GAAPOLB
SCHEMBL9356659 0.79 ALPG (0.70) ALPGALPLNSD2GAAPOLB
SCHEMBL9248506 0.72 ADRB2 (0.41) GAAKMT2AALDH1A1MEN1KDM4E
Hydrochloric Acid SCHEMBL9336175 0.71 ADRB2 (0.43) GAAPOLBKMT2AALDH1A1MEN1
SCHEMBL6403309 0.70 ALPG (0.64) ALPGALPLNSD2GAAPOLB
SCHEMBL9257201 0.69 BACE1 (0.44) POLBALDH1A1GFERKDM4E
Hydrochloric Acid SCHEMBL31419976 0.69 ALPL (0.59) ALPGALPLNSD2GAAPOLB
Hydrochloric Acid SCHEMBL9253720 0.68 ACHE (0.43) POLBALDH1A1GFERKDM4E
SCHEMBL9249214 0.68 ALDH1A1 (0.43) GAAKMT2AALDH1A1MEN1KDM4E
SCHEMBL31419974 0.68 NSD2 (0.69) ALPLNSD2GAAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326379-B1 Therapeutic agent for liver disease and piperazine derivatives NIPPON CHEMIPHAR CO (JP) 1994-06-01 EP disclosed
US-5070089-A INHIBITION OF LIPID PEROXIDATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 US disclosed
EP-0326379-A2 Therapeutic agent for liver disease and piperazine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1989-08-02 EP disclosed