SCHEMBL9354537

SCHEMBL9354537

O=C(OCc1ccccc1)C(Cc1ccccc1)OC(=O)N1CCSCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
DPP4 P27487 5/20 0.45
CYP2C19 P33261 1/20 0.44
DPP7 Q9UHL4 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
FOLH1 Q04609 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL9354547 1.00 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9355080 0.93 DPP4 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9355092 0.93 DPP4 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9740018 0.88 DPP4 (0.45) SMN1; SMN2NPC1RAB9ADPP4CYP2C19
SCHEMBL8681953 0.87 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9354940 0.87 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9359129 0.87 DPP4 (0.49) DPP4PPARGPPARA
SCHEMBL9359132 0.87 DPP4 (0.49) DPP4PPARGPPARA
SCHEMBL9355215 0.85 HSD17B10 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9355220 0.85 HSD17B10 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed