SCHEMBL9626547

SCHEMBL9626547

C=CC(=O)OCC(CC)(COC(=O)/C=C/C(=O)O)COC(=O)/C=C/C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.57
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HCAR2 Q8TDS4 9/20 0.52
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL235142 0.90 ALDH1A1 (0.60) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL18580288 0.90 THRB (0.64) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL17101615 0.90 THRB (0.64) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL238953 0.88 THRB (0.70) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL16142121 0.85 THRB (0.58) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL18982828 0.84 THRB (0.48) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL18982825 0.84 THRB (0.48) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL4160617 0.84 THRB (0.48) THRBALDH1A1TP53HIF1ACYP3A4
Alcohol SCHEMBL7030010 0.84 ALDH1A1 (0.68) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14130577 0.84 ALDH1A1 (0.67) THRBALDH1A1TP53HIF1ACYP3A4

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-5096767-A Containing radiation curable polymer MITSUBISHI PAPER MILLS LIMITED (JP) 1992-03-17 US disclosed