SCHEMBL513380

SCHEMBL513380

C=C(C)C(=O)OCCOC(=O)C1CCCCC1C(=O)OCCO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
EPHX1 P07099 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL208911 0.93 THRB (0.52) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL2396244 0.89 TP53 (0.39) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL73761 0.87 THRB (0.46) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL16466610 0.87 THRB (0.46) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL14473517 0.87 THRB (0.46) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL422679 0.87 TSHR (0.51) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL422110 0.87 TSHR (0.56) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL18351239 0.86 THRB (0.45) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL513379 0.85 THRB (0.43) THRBTSHRALDH1A1EPHX1POLB
SCHEMBL1296369 0.84 TP53 (0.52) TSHRTP53CYP3A4EPHX1

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-8593633-B2 Cure degree evaluation method, cure degree evaluation sheet, and cure degree evaluation system for evaluating cure degree of active energy ray-curable resin composition OMRON CORPORATION (JP) 2013-11-26 US disclosed
US-20120026501-A1 CURE DEGREE EVALUATION METHOD, CURE DEGREE EVALUATION SHEET, AND CURE DEGREE EVALUATION SYSTEM FOR EVALUATING CURE DEGREE OF ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITION OMRON CORPORATION (JP) 2012-02-02 US disclosed