SCHEMBL7514830

SCHEMBL7514830

C=C(C)C(=O)OC(C)CO.C=CC(=O)OCC(C)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.49
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.30
PRKCA P17252 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
Propylene Glycol SCHEMBL11660952 0.91 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11216297 0.88 TSHR (0.55) TSHRALDH1A1MAPT
SCHEMBL2461482 0.86 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1255428 0.86 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11109289 0.85 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3273928 0.84 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5606943 0.82 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28074131 0.81 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9501402 0.81 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2461481 0.81 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4

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-20020076642-A1 Antireflective composition SHIPLEY COMPANY, L.L.C. 2002-06-20 US disclosed