SCHEMBL9862091

SCHEMBL9862091

C=CC(=O)OOC(C)(OOC(=O)OCC)C(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TSHR P16473 6/20 0.35
HPGD P15428 1/20 0.34
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TP53 P04637 3/20 0.31
HIF1A Q16665 3/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL10498325 0.88 ALDH1A1 (0.38) THRBALDH1A1TSHRHPGDSOAT1
SCHEMBL9862000 0.77 GSTO1 (0.36) THRBALDH1A1TSHRCYP3A4MAPK1
SCHEMBL9242598 0.76 ALDH1A1 (0.50) THRBALDH1A1TSHRHPGDSOAT1
SCHEMBL9862019 0.73 LMNA (0.37) ALDH1A1TSHRHPGDHIF1ASMN1; SMN2
SCHEMBL9847912 0.73 ALDH1A1 (0.46) THRBALDH1A1TSHRHPGDSOAT1
SCHEMBL8892386 0.71 THRB (0.41) THRBALDH1A1TSHRHPGDTP53
SCHEMBL10715928 0.70 THRB (0.36) THRBTSHRHPGD
SCHEMBL7683837 0.70 THRB (0.36) THRB
SCHEMBL27897713 0.68 ALDH1A1 (0.55) THRBALDH1A1TSHRHPGDSOAT1
Acrylic Acid Ethyl Ester SCHEMBL23607549 0.68

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
EP-0423767-A2 Thermoplastic resin composition and method for preparing the same NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed