SCHEMBL9620764

SCHEMBL9620764

CCOc1cc2c(cc1OCC)C(=O)C(C(=O)OC)CC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL6378142 0.86 KDM4E (0.61) ACHEKDM4EALDH1A1KMT2AMEN1
SCHEMBL9620834 0.86 ACHE (0.49) ACHE
SCHEMBL9621088 0.83 NPC1 (0.43) ACHE
SCHEMBL7757705 0.79 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL346335 0.79 PIN1 (0.41)
SCHEMBL7755712 0.78 MEN1 (0.42) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL9620999 0.76 ACHE (0.42) ACHEKDM4EALDH1A1KMT2AMEN1
SCHEMBL6379762 0.76 KDM4E (0.78) ACHEKDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7448476 0.75 ACHE (0.56) ACHE
SCHEMBL23460708 0.75 KDM4E (0.40) KDM4EALDH1A1KMT2AMEN1GAA

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