SCHEMBL8957684

SCHEMBL8957684

C=C(C)C(=O)OCCOc1c(Cl)cc(C(C)(C)c2cc(Br)c(OCC(OCC)OC(=O)C(=C)C)c(Br)c2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
THRB P10828 2/20 0.32
KDM4E B2RXH2 1/20 0.31
THRA P10827 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
SCHEMBL8957658 1.00 ALDH1A1 (0.37) ALDH1A1THRBKDM4ETHRA
SCHEMBL8957622 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8957697 0.88 ALDH1A1 (0.46) ALDH1A1THRBTHRA
SCHEMBL8957687 0.81 ALDH1A1 (0.35) ALDH1A1THRBKDM4ETHRA
SCHEMBL11997925 0.81 THRB (0.43) ALDH1A1THRBKDM4ETHRA
SCHEMBL8957604 0.81 THRB (0.41) ALDH1A1THRBKDM4E
SCHEMBL672151 0.81 ALDH1A1 (0.43) ALDH1A1THRBKDM4ETHRA
SCHEMBL8957663 0.80 ALDH1A1 (0.36) ALDH1A1THRBKDM4ETHRA
SCHEMBL8957781 0.78 AR (0.43) ALDH1A1THRBKDM4E
SCHEMBL15500176 0.77 ALDH1A1 (0.40) ALDH1A1THRBKDM4ETHRA

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