SCHEMBL27620366

SCHEMBL27620366

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 7/20 0.39
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 3/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28323248 0.81 TSHR (0.43) TSHRHPGDALDH1A1HSD17B10THRB
SCHEMBL10456265 0.81 TSHR (0.43) TSHRHPGDALDH1A1HSD17B10THRB
SCHEMBL776448 0.80 ALDH1A1 (0.39) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL29418168 0.78 ALDH1A1 (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29116626 0.77 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8952938 0.77 ALDH1A1 (0.40) TSHRALDH1A1HSD17B10TDP1
SCHEMBL10823142 0.77 ALDH1A1 (0.36) TSHRALDH1A1TDP1
SCHEMBL10823143 0.77 ALDH1A1 (0.36) TSHRALDH1A1TDP1
SCHEMBL28730235 0.76 TSHR (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27847517 0.76 ALDH1A1 (0.39) ALDH1A1

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
CN-1756765-A Metastin derivative and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-04-05 CN disclosed