SCHEMBL9501109

SCHEMBL9501109

COc1ccc(S(=O)(=O)N2CCN(CCCNCc3cccc(OCC(C)C)c3C)CC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MAPT P10636 1/20 0.42
BDKRB1 P46663 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41

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
SCHEMBL9502183 0.88 TP53 (0.47) POLBLMNAMAPTKDM4EALDH1A1
SCHEMBL9504108 0.85 TP53 (0.44) TSHRPOLBLMNAMAPTKDM4E
SCHEMBL9502756 0.84 SLC2A1 (0.40) HTTUSP2KDM4EBCHECHRM2
SCHEMBL9501482 0.80 POLB (0.39) POLBLMNAMAPK1MAPTBDKRB1
SCHEMBL9502824 0.77 BCHE (0.41) TSHRALDH1A1L3MBTL1BCHECHRM2
SCHEMBL10518196 0.73 BCHE (0.38) TSHRLMNAALDH1A1L3MBTL1BCHE
SCHEMBL9501464 0.71 BCHE (0.38) LMNAKDM4EALDH1A1L3MBTL1BCHE
SCHEMBL9501107 0.70 TSHR (0.48) TSHRPOLBHTTGPBAR1HSD17B10
SCHEMBL20782410 0.69 GPBAR1 (0.68) TSHRPOLBHTTGPBAR1HSD17B10
SCHEMBL25684924 0.69 GPBAR1 (0.68) TSHRPOLBHTTGPBAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US claimed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP claimed
JP-1207276-A None JP disclosed
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
JP-H01207276-A NOVEL PROPANE DERIVATIVE KOWA CO 1989-08-21 JP disclosed