SCHEMBL9501073

SCHEMBL9501073

CC(C)COCC(O)CN1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
PKM P14618 2/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
CYP2D6 P10635 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL12726868 0.81 CYP2D6 (0.76) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL9502114 0.79 PKM (0.57) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL1350184 0.77 MEN1 (0.73) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL1350186 0.77 MEN1 (0.73) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL9502176 0.77 KDM4E (0.48) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL6432243 0.77 SMN1; SMN2 (0.47) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL608302 0.74 MAPT (0.63) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL9504097 0.74 KDM4E (0.45) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL1353299 0.74 MEN1 (0.68) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL10386225 0.73 ALDH1A1 (0.45) GAAPKMLMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP disclosed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US disclosed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP disclosed