SCHEMBL9502157

SCHEMBL9502157

COc1ccc(S(=O)(=O)N2CCN(CC(C)C(NCc3ccccc3)OCC(C)C)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.47
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HSD11B1 P28845 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 3/20 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
SCHEMBL9502196 0.88 CYP2D6 (0.47) LMNAKMT2AALDH1A1MEN1GAA
SCHEMBL9504119 0.84 CYP2D6 (0.44) TSHRLMNAUSP2KMT2AALDH1A1
SCHEMBL9501107 0.74 TSHR (0.48) GPBAR1TSHRHSD17B10LMNAUSP2
SCHEMBL9502829 0.74 SIGMAR1 (0.41) LMNAALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL10518201 0.70 CXCR4 (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL3830421 0.70 GPBAR1 (0.90) GPBAR1TSHRHSD17B10LMNAUSP2
SCHEMBL4184681 0.70 GPBAR1 (0.90) GPBAR1TSHRHSD17B10LMNAUSP2
SCHEMBL31350913 0.69 RXFP1 (0.71) GPBAR1TSHRHSD17B10LMNAUSP2
SCHEMBL9502149 0.68 TSHR (0.48) GPBAR1TSHRHSD17B10LMNAUSP2
SCHEMBL9502634 0.68 LMNA (0.49) TSHRHSD17B10LMNAUSP2MAPK1

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