SCHEMBL9254027

SCHEMBL9254027

CSC(=S)N1CCN(Cc2ccc(OC(C)=O)c(OC(C)=O)c2OC(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL9253588 0.81 KDM4E (0.43) CYP2C19ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9252776 0.78 CYP2C19 (0.60) CYP2C19ALDH1A1KDM4EHTTPKM
Hydrochloric Acid SCHEMBL9249587 0.77 CYP2C19 (0.59) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL9246269 0.77 FAAH (0.42) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL9256748 0.74 CYP2C19 (0.49) CYP2C19ALDH1A1KDM4EHTTPKM
Hydrochloric Acid SCHEMBL9255254 0.73 CYP2C19 (0.48) CYP2C19ALDH1A1KDM4EHTTPKM
SCHEMBL9254016 0.72 KDM4E (0.58) CYP2C19ALDH1A1KDM4EHTTMEN1
SCHEMBL9253056 0.72 CA1 (0.32) CYP2C19ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9258749 0.71 CA1 (0.32) CYP2C19ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7757928 0.71 MEN1 (0.57) CYP2C19ALDH1A1KDM4EHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446146-A Treatment of liver disorders NIPPON CHEMIPHAR CO., LTD. (JP) 1995-08-29 US disclosed
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