SCHEMBL7313446

SCHEMBL7313446

CC(C)C[C@@H]1C[C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.34
KIF11 P52732 8/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7307081 1.00 HTT (0.39) HTTPOLBCYP2C9KIF11KMT2A
SCHEMBL7315945 0.81 HTT (0.54) HTTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7310163 0.81 HTT (0.54) HTTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7765004 0.72 KIF11 (0.33) KIF11
SCHEMBL8029112 0.70 HTT (0.53) HTTPOLBCYP2C9KMT2AMEN1
SCHEMBL14952859 0.69 GAA (0.39) HTTKIF11
SCHEMBL17859347 0.69 KIF11 (0.46) KIF11KMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL10584749 0.68 POLB (0.42) HTTPOLBCYP2C9KMT2AMEN1
SCHEMBL7316001 0.68 HTT (0.40) HTTPOLBCYP2C9KMT2AMEN1
SCHEMBL7307802 0.68 HTT (0.40) HTTPOLBCYP2C9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818443-B1 Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases AMERICAN CYANAMID CO (US) 2001-12-05 EP disclosed
US-6160132-A Mercaptoketones and mercaptoalcohols and a process for their preparation AMERICAN CYANAMID COMPANY (US) 2000-12-12 US disclosed
US-6124502-A Mercaptoketones and mercaptoalcohols and a process for their preparation AMERICAN CYANAMID COMPANY (US) 2000-09-26 US disclosed
US-5852213-A Mercaptoketones and mercaptoalcohols and a process for their preparation AMERICAN CYANAMID COMPANY (US) 1998-12-22 US disclosed
EP-0818443-A2 Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases American Cyanamid Company (US) 1998-01-14 EP disclosed