SCHEMBL28211112

SCHEMBL28211112

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL27708475 0.89 THRB (0.37) THRBTSHRHPGDALDH1A1TP53
Ammonia Solution, Strong SCHEMBL28190595 0.82 TSHR (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28189985 0.82 TSHR (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL27228634 0.80 TSHR (0.46) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL10623591 0.79 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL31390458 0.78 THRB (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL21496264 0.78 TSHR (0.44) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL21496229 0.78 TSHR (0.44) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL3267479 0.78 TSHR (0.44) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29399307 0.78 TSHR (0.44) THRBTSHRHPGDALDH1A1CYP3A4

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-107924145-A The method of resist film and the manufacture method of etched metallic plate are removed from metallic plate 日新制钢株式会社 2018-04-17 CN disclosed