SCHEMBL3958019

SCHEMBL3958019

C=CC(=O)OCC(CCCC)(CCCC)OP(=O)(O)OC(C)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
THRB P10828 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
SCHEMBL128681 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL128679 0.79 TSHR (0.49) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL17923959 0.78 TSHR (0.47) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL5425934 0.75 SMPD1 (0.49) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL5425921 0.74 TSHR (0.46) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL11661402 0.72 TSHR (0.42) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL11661400 0.70 TSHR (0.43) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL17923895 0.69 TSHR (0.42) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL17923935 0.69 TSHR (0.54) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL17923933 0.67 TSHR (0.56) TSHRHPGDALDH1A1TP53CYP3A4

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-7495039-B2 Water dispersion for ink jet recording KAO CORPORATION (JP) 2009-02-24 US claimed