SCHEMBL8682156

SCHEMBL8682156

O=C(O)[C@H](Cc1ccccc1)OC(=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.51
ACE P12821 1/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
PPARG P37231 12/20 0.47
PPARA Q07869 10/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9359097 1.00 SRR (0.51) SRRACEHPGDTSHRGAA
SCHEMBL8909660 1.00 SRR (0.51) SRRACEHPGDTSHRGAA
SCHEMBL9354940 0.86 MEN1 (0.49) HPGDTSHRGAAPPARGPPARA
SCHEMBL8681953 0.86 MEN1 (0.49) HPGDTSHRGAAPPARGPPARA
SCHEMBL7287136 0.86 KMT2A (0.58) SRRACETSHRPPARGPPARA
SCHEMBL9354821 0.86 HSD17B10 (0.58) SRRACEPPARGPPARA
SCHEMBL9359129 0.86 DPP4 (0.49) SRRACEPPARGPPARA
SCHEMBL9359132 0.86 DPP4 (0.49) SRRACEPPARGPPARA
SCHEMBL9740620 0.86 ACE (0.49) SRRACEPPARGPPARAKMT2A
SCHEMBL7278049 0.86 HSD17B10 (0.58) SRRACEPPARGPPARA

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
US-5750696-A HYPOTENSIVE AGENTS JAPAN TOBACCO INC. (JP) 1998-05-12 US disclosed
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP disclosed
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed