SCHEMBL9249207

SCHEMBL9249207

COC1=C(OC)C(=O)C(CN2CCN(C(=S)SC)CC2)=C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPK1 P28482 1/20 0.39
AVPR2 P30518 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 1/20 0.39
PDE3A Q14432 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SLC29A1 Q99808 1/20 0.39
PKM P14618 6/20 0.39
IDO1 P14902 1/20 0.38
PKLR P30613 1/20 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
SCHEMBL9254058 0.85 PKM (0.40) MAPK1PKMPKLRALDH1A1PHGDH
SCHEMBL10473053 0.74 IDO1 (0.44) LMNAMAPTTDP1PGRCYP3A4
SCHEMBL9253004 0.68 LMNA (0.58) LMNAMAPTCYP2D6HTTALDH1A1
SCHEMBL9256000 0.68 ALDH1A1 (0.63) PKMALDH1A1PHGDHMGLLCA1
Hydrochloric Acid SCHEMBL9252823 0.68 LMNA (0.57) LMNAMAPTCYP2D6HTTALDH1A1
SCHEMBL9253292 0.68 PHGDH (0.35) TDP1CYP2C9CYP2C19ALDH1A1PHGDH
Hydrochloric Acid SCHEMBL9257450 0.67 ALDH1A1 (0.62) PKMALDH1A1PHGDHMGLLCA1
SCHEMBL9253999 0.67 SIGMAR1 (0.64) LMNAMAPTHTTALDH1A1PHGDH
SCHEMBL9253056 0.66 CA1 (0.32) LMNAMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL9255506 0.66 KMT2A (0.58) LMNAMAPTTDP1HTTALDH1A1

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