SCHEMBL7971371

SCHEMBL7971371

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCOc1ccc(Cl)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.44
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL7971292 0.83 HRH3 (0.41) HRH3MEN1KMT2A
SCHEMBL7974351 0.81 TP53 (0.51) MEN1KMT2A
SCHEMBL7961033 0.81 MEN1 (0.43) HRH3MEN1KMT2A
SCHEMBL7972638 0.80 MAPT (0.55) MEN1KMT2A
SCHEMBL7961134 0.79 HCAR2 (0.31)
SCHEMBL7971192 0.78 GPR119 (0.57)
SCHEMBL7971561 0.78 SMN1; SMN2 (0.54) HRH3SIGMAR1MEN1KMT2A
SCHEMBL7972769 0.77 MAPT (0.47) HRH3KMT2A
Hydrochloric Acid SCHEMBL7961203 0.77 SMN1; SMN2 (0.53) HRH3MEN1KMT2A
SCHEMBL7977073 0.77 SIGMAR1 (0.44) HRH3SIGMAR1

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed