SCHEMBL9254058

SCHEMBL9254058

CSC(=S)N1CCN(CC2=C(C)C(=O)C(C)=C(C)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.40
PHGDH O43175 2/20 0.38
MGLL Q99685 2/20 0.38
PKLR P30613 2/20 0.38
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL9249207 0.85 LMNA (0.39) PKMPHGDHMGLLPKLRCA1
SCHEMBL10446594 0.69 SMN1; SMN2 (0.42) PKMALDH1A1SMN1; SMN2MAPK1
SCHEMBL9246403 0.69 MGLL (0.39) PHGDHMGLLCA1CA2ALDH1A1
SCHEMBL9255521 0.69 PHGDH (0.39) PKMPHGDHMGLLPKLRCA1
SCHEMBL9255506 0.68 KMT2A (0.58) PHGDHMGLLALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9254069 0.68 MGLL (0.38) PHGDHMGLLCA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL9248600 0.67 ALDH1A1 (0.56) PHGDHMGLLALDH1A1SMN1; SMN2
SCHEMBL9249526 0.66 PHGDH (0.49) PHGDHMGLLCA1CA2ALDH1A1
SCHEMBL9250088 0.65 MPO (0.65) PHGDHMGLLALDH1A1HPGD
SCHEMBL9253292 0.64 PHGDH (0.35) PHGDHMGLLCA1CA2ALDH1A1

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