SCHEMBL9502149

SCHEMBL9502149

COc1ccc(S(=O)(=O)N2CCN(C(CCOCC(C)C)NCc3ccccc3C)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9502192 0.88 TDP1 (0.43) POLBLMNAUSP2MAPTKDM4E
SCHEMBL9504013 0.83 KDM4E (0.40) TSHRHTTPOLBHSD17B10USP2
SCHEMBL9501107 0.82 TSHR (0.48) TSHRHTTPOLBGPBAR1LMNA
SCHEMBL9502833 0.75 SLC6A4 (0.44) LMNASMN1; SMN2KDM4ECYP3A4MEN1
SCHEMBL9501470 0.71 KDM4E (0.38) TSHRHTTLMNAMAPK1MAPT
SCHEMBL9502176 0.69 KDM4E (0.48) HTTPOLBLMNAKDM4EALDH1A1
SCHEMBL9502157 0.68 GPBAR1 (0.47) TSHRHTTPOLBGPBAR1LMNA
SCHEMBL3830421 0.68 GPBAR1 (0.90) TSHRHTTPOLBGPBAR1LMNA
SCHEMBL4184681 0.68 GPBAR1 (0.90) TSHRHTTPOLBGPBAR1LMNA
SCHEMBL31350913 0.67 RXFP1 (0.71) TSHRHTTPOLBGPBAR1LMNA

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 6 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
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