SCHEMBL14489003

SCHEMBL14489003

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.37
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL4147425 0.83 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17792467 0.78 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28189986 0.77 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31091781 0.77 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14488842 0.75 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL13704977 0.74 THRB (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2741580 0.74 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18516817 0.74 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2204543 0.73 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1658732 0.72 TSHR (0.48) 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-7232642-B2 Chemically amplified positive resist composition, a haloester derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-19 US disclosed