SCHEMBL8957663

SCHEMBL8957663

C=C(C)C(=O)OCCOc1c(Br)cc(C(C)(C)c2cc(Cl)c(OC(C)OCCOC(=O)C(=C)C)c(Cl)c2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 2/20 0.33
THRB P10828 3/20 0.33
THRA P10827 2/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8957687 0.97 ALDH1A1 (0.35) ALDH1A1KDM4ETHRBTHRA
SCHEMBL8957626 0.92 THRB (0.35) THRB
SCHEMBL8957698 0.90 ALDH1A1 (0.36) ALDH1A1THRBTHRACYP3A4
SCHEMBL8957714 0.85 THRB (0.33) THRB
SCHEMBL672151 0.85 ALDH1A1 (0.43) ALDH1A1KDM4ETHRBTHRACYP3A4
SCHEMBL8957726 0.84 ALDH1A1 (0.34) ALDH1A1THRBCYP3A4
SCHEMBL8957653 0.83 ALDH1A1 (0.33) ALDH1A1THRBCYP3A4
SCHEMBL8957604 0.82 THRB (0.41) ALDH1A1KDM4ETHRBCYP2C19
SCHEMBL10409149 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ETHRBTHRAMEN1
SCHEMBL15500176 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ETHRBTHRACYP3A4

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