SCHEMBL9252347

SCHEMBL9252347

CC(C)(C)OC(=O)C1Cc2ccccc2CN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
F10 P00742 7/20 0.52
PTPN1 P18031 1/20 0.51
NR1D1 P20393 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
PREP P48147 1/20 0.45
ACE P12821 2/20 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
SCHEMBL8233145 0.91 NPSR1 (0.53) NPSR1F10PTPN1NR1D1HDAC8
SCHEMBL29727828 0.91 NPSR1 (0.53) NPSR1F10PTPN1NR1D1HDAC8
SCHEMBL1049445 0.88 NPSR1 (0.63) NPSR1F10PTPN1NR1D1HDAC8
SCHEMBL9591709 0.87 NPSR1 (0.59) NPSR1F10PTPN1HDAC8PREP
SCHEMBL1052393 0.85 NPSR1 (0.62) NPSR1F10PTPN1ACE
SCHEMBL30314166 0.85 NPSR1 (0.62) NPSR1F10PTPN1ACE
SCHEMBL14862925 0.85 NPSR1 (0.62) NPSR1F10PTPN1ACE
SCHEMBL3629346 0.85 NPSR1 (0.62) NPSR1F10PTPN1ACE
SCHEMBL29401156 0.85 NPSR1 (0.62) NPSR1F10PTPN1ACE
SCHEMBL30547966 0.85 PREP (0.54) NPSR1F10PTPN1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed