SCHEMBL7961373

SCHEMBL7961373

COc1c(Br)c2c(c(OC)c1OC)CC(CCCCCCC1Cc3c(Br)c(OC)c(OC)c(OC)c3C1)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA1 P00915 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL7961134 0.89 HCAR2 (0.31)
SCHEMBL7972650 0.81
SCHEMBL7974425 0.81
SCHEMBL7974750 0.81 SIGMAR1 (0.41)
SCHEMBL7972657 0.78 SIGMAR1 (0.47)
SCHEMBL7974359 0.73 TSHR (0.44)
SCHEMBL7972860 0.72 KDM4E (0.46)
SCHEMBL7977198 0.71 ALDH1A1 (0.43)
SCHEMBL7971371 0.70 HRH3 (0.44)
SCHEMBL7971138 0.69 ATM (0.45)

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