SCHEMBL10426403

SCHEMBL10426403

C=C(C)C(=O)OCCC(=O)CCOC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 4/20 0.55
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL2051132 0.90 THRB (0.48) THRBTSHRALDH1A1TDP1POLB
SCHEMBL7121709 0.89 THRB (0.52) THRBTSHRALDH1A1TDP1POLB
SCHEMBL31340001 0.88 THRB (0.47) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2446911 0.88 TSHR (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL608159 0.87 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2453478 0.86 THRB (0.57) THRBTSHRALDH1A1TDP1POLB
SCHEMBL587661 0.86 THRB (0.57) THRBTSHRALDH1A1TDP1POLB
SCHEMBL9312977 0.86 THRB (0.57) THRBTSHRALDH1A1TDP1POLB
SCHEMBL8751763 0.86 THRB (0.48) THRBTSHRALDH1A1TDP1POLB
SCHEMBL29082867 0.85 TSHR (0.71) THRBTSHRALDH1A1TDP1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4890911-A Contact lens and the method of manufacturing thereof CESKOSLOVENSKA AKADEMIE VED (CS) 1990-01-02 US disclosed