SCHEMBL8957617

SCHEMBL8957617

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8957719 0.88 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8957722 0.85 CYP2C19 (0.43)
SCHEMBL8957705 0.80
SCHEMBL7622862 0.79 KDM4E (0.37) ALDH1A1LMNAHTT
SCHEMBL8957604 0.75 THRB (0.41) ALDH1A1HTT
SCHEMBL11185791 0.74 POLB (0.42) ALDH1A1HTT
SCHEMBL14173154 0.73 ELANE (0.34) ALDH1A1
SCHEMBL8957622 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19327020 0.70 ABCB11 (0.33) ALDH1A1HTT
SCHEMBL20135806 0.70 THRB (0.46) ALDH1A1

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-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US claimed
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