SCHEMBL19677337

SCHEMBL19677337

CCCCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CCl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.71
▸ HTT P42858 2/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ LMNA P02545 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KMT2A Q03164 3/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PLA2G4B P0C869 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38

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
SCHEMBL6131219 0.89 AR (0.88) ARHTTHIF1ALMNAHSD17B10
SCHEMBL12515785 0.89 AR (0.88) ARHTTHIF1ALMNAHSD17B10
SCHEMBL16281213 0.87 AR (0.85) ARHTTHIF1ALMNAHSD17B10
SCHEMBL13190959 0.87 AR (0.67) ARHTTHIF1ALMNAHSD17B10
SCHEMBL13190960 0.87 AR (0.67) ARHTTHIF1ALMNAHSD17B10
SCHEMBL13190958 0.87 AR (0.67) ARHTTHIF1ALMNAHSD17B10
SCHEMBL13191159 0.87 AR (0.67) ARHTTHIF1ALMNAHSD17B10
SCHEMBL16004487 0.87 AR (0.67) ARHTTHIF1ALMNAHSD17B10
SCHEMBL12988346 0.87 AR (0.67) ARHTTHIF1ALMNAHSD17B10
SCHEMBL16232997 0.86 AR (0.78) ARHTTHIF1ALMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252032-A1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2017-12-06 — — EP disclosed
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