SCHEMBL9683187

SCHEMBL9683187

[CH2]C(O)CNCCOC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.38
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7181447 0.88 THRB (0.46) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL20872418 0.86 TSHR (0.47) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL3280966 0.84 TSHR (0.53) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL274787 0.83 THRB (0.42) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL9321905 0.83 THRB (0.55) THRBTSHRALDH1A1SCN1ASCN2A
Ammonia Solution, Strong SCHEMBL28737206 0.83 TSHR (0.52) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL13950019 0.81 THRB (0.53) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL1997757 0.80 THRB (0.46) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL18593939 0.79 THRB (0.49) THRBTSHRALDH1A1SCN1ASCN2A
SCHEMBL5576921 0.78 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1

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-5173421-A For high density cell culture MITSUBISHI KASEI CORPORATION (JP) 1992-12-22 US disclosed