SCHEMBL9620731

SCHEMBL9620731

COc1cc2c(cc1OC)C(=O)C(C(=O)O)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47

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
SCHEMBL9620722 0.96 ACHE (0.48) ACHE
SCHEMBL9621341 0.83 CHRNA7 (0.47) ACHE
SCHEMBL4859012 0.81 ACHE (0.61) ACHE
SCHEMBL6794410 0.79 ACHE (0.48) ACHE
SCHEMBL9620834 0.77 ACHE (0.49) ACHE
SCHEMBL10701176 0.75 KDM4E (0.50) ACHE
SCHEMBL9620941 0.75 MAOA (0.45)
SCHEMBL9621233 0.74 NPC1 (0.46)
SCHEMBL7820428 0.73 KDM4E (0.46)
SCHEMBL9620999 0.73 ACHE (0.42) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed