SCHEMBL9329331

SCHEMBL9329331

CON=C1SCCN(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
GAA P10253 3/20 0.47
CMA1 P23946 1/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL9329726 0.88 HTT (0.55) POLBHTTALDH1A1SMN1; SMN2HDAC3
SCHEMBL9329706 0.87 MAPK1 (0.52) POLBHTTALDH1A1CYP2C19MAPT
SCHEMBL9331874 0.81 ALDH1A1 (0.58) POLBHTTALDH1A1CYP2C19MAPT
SCHEMBL9512641 0.79 POLB (0.62) POLBGAACMA1GSK3AGSK3B
SCHEMBL9329794 0.78 HTT (0.56) POLBHTTALDH1A1CYP1A2CYP2C19
SCHEMBL9331863 0.74 MAPK1 (0.50) POLBGSK3AGSK3BHTTALDH1A1
SCHEMBL9329762 0.73 MAPK1 (0.51) POLBGSK3AGSK3BHTTALDH1A1
SCHEMBL9329720 0.72 MAPK1 (0.48) POLBGSK3AGSK3BHTTALDH1A1
SCHEMBL1445190 0.70 GAA (0.51) POLBGAACMA1GSK3AGSK3B
SCHEMBL4003120 0.70 GAA (0.66) POLBGAACMA1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393109-B1 NOVEL 2,3-THIOMORPHOLINEDIONE-2-OXIME DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZET (HU) 1994-03-23 EP disclosed
US-5106846-A Antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1992-04-21 US disclosed