SCHEMBL9257201

SCHEMBL9257201

CSC(=S)N1CCN(Cc2cc(O)ccc2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
ACHE P22303 2/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 2/20 0.42
CACNA1B Q00975 1/20 0.42
MPO P05164 1/20 0.41
TSHR P16473 4/20 0.41
GFER P55789 1/20 0.41
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39

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 SCHEMBL9253720 0.99 ACHE (0.43) BACE1ACHEPHGDHMGLLALDH1A1
SCHEMBL9252511 0.84 GAA (0.54) ALDH1A1LMNAKDM4EPOLBTSHR
SCHEMBL9250088 0.83 MPO (0.65) BACE1ACHEPHGDHMGLLALDH1A1
SCHEMBL9255405 0.82 ALOX15 (0.44) BACE1ACHEPHGDHMGLLALDH1A1
SCHEMBL9246269 0.81 FAAH (0.42) BACE1ALDH1A1LMNAHPGDALOX15
SCHEMBL9336197 0.78 MPO (0.49) PHGDHMGLLALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL9252817 0.77 MPO (0.47) PHGDHMGLLALDH1A1LMNAHPGD
SCHEMBL9249526 0.75 PHGDH (0.49) PHGDHMGLLALDH1A1LMNAHPGD
SCHEMBL9255506 0.74 KMT2A (0.58) ACHEPHGDHMGLLALDH1A1LMNA
SCHEMBL9252188 0.73 ATM (0.58) PHGDHMGLLALDH1A1LMNAKDM4E

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