SCHEMBL16291333

SCHEMBL16291333

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 4/20 0.40
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
THRA P10827 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
SCHEMBL3247427 0.96 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL16291088 0.92 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL31115218 0.91 TSHR (0.44) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL1108022 0.87 THRB (0.44) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL31300058 0.85 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL8925191 0.85 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL6046880 0.85 TSHR (0.46) TSHRHPGDTHRBALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL7209197 0.85 THRB (0.43) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3247446 0.85 TSHR (0.48) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL13528558 0.83 THRB (0.42) TSHRHPGDTHRBALDH1A1TP53

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-20140370432-A1 Carrier Resins With Improved RH Sensitivity XEROX CORPORATION 2014-12-18 US disclosed