SCHEMBL8957653

SCHEMBL8957653

C=C(C)C(=O)OCCOC(C)OC(C)OC(C)OC(C)Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(C)OC(C)OC(C)OC(C)OCCOC(=O)C(=C)C)c(Br)c2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8957726 0.99 ALDH1A1 (0.34) ALDH1A1THRBTSHRCYP3A4HPGD
SCHEMBL8957698 0.93 ALDH1A1 (0.36) ALDH1A1THRBTSHRCYP3A4HPGD
SCHEMBL8957714 0.87 THRB (0.33) THRBTSHR
SCHEMBL8957687 0.85 ALDH1A1 (0.35) ALDH1A1THRB
SCHEMBL8957645 0.84 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4HPGDALOX15
SCHEMBL8957715 0.84 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4HPGDALOX15
SCHEMBL8957663 0.83 ALDH1A1 (0.36) ALDH1A1THRBCYP3A4
SCHEMBL8957695 0.83 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4HPGDALOX15
SCHEMBL8957785 0.81 POLB (0.38) ALDH1A1THRBTSHRTDP1
SCHEMBL8957655 0.81 POLB (0.38) ALDH1A1THRBTSHRTDP1

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