SCHEMBL8957622

SCHEMBL8957622

C=C(C)C(=O)OC(COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OCC(OCC)OC(=O)C(=C)C)c(Cl)c2)cc1Cl)OCC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL8957658 0.88 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8957684 0.88 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8957697 0.88 ALDH1A1 (0.46) ALDH1A1AR
SCHEMBL8957757 0.85 CYP2C19 (0.42) AR
SCHEMBL9067394 0.84 ACACB (0.35)
SCHEMBL1468098 0.81 AR (0.46) ALDH1A1AR
SCHEMBL5223398 0.77 AR (0.43) ALDH1A1AR
SCHEMBL8957781 0.74 AR (0.43) ALDH1A1AR
SCHEMBL8957604 0.74 THRB (0.41) ALDH1A1AR
SCHEMBL8957603 0.74

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
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed