SCHEMBL28201469

SCHEMBL28201469

C=CC(=O)OC(=O)CC(C)(CC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17393728 0.76 TSHR (0.41) TSHRHIF1ACYP2D6CYP2C19THRB
SCHEMBL466312 0.72
SCHEMBL15247345 0.72 THRB (0.36) TSHRHIF1ACYP2D6CYP2C19THRB
SCHEMBL13865876 0.72 GAA (0.44) TSHRHIF1ACYP2D6CYP2C19ALDH1A1
SCHEMBL15463204 0.71 THRB (0.35) TSHRHIF1ACYP2D6CYP2C19THRB
SCHEMBL1148669 0.71 TSHR (0.46) TSHRHIF1ATHRBHPGDALDH1A1
SCHEMBL7189835 0.71 TSHR (0.46) TSHRHIF1ATHRBHPGDALDH1A1
SCHEMBL7192242 0.71 TSHR (0.46) TSHRHIF1ATHRBHPGDALDH1A1
SCHEMBL7192231 0.71 TSHR (0.46) TSHRHIF1ATHRBHPGDALDH1A1
SCHEMBL588612 0.70 ALDH1A1 (0.54) TSHRHIF1ACYP2D6ALDH1A1TP53

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
CN-107615171-A Manufacture method, circuit layout, input unit and the display device of circuit layout 富士胶片株式会社 2018-01-19 CN disclosed