SCHEMBL31388415

SCHEMBL31388415

C=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(=O)OCCO.[Na]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
HPGD P15428 1/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Methacrylic Acid SCHEMBL27702048 0.92 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL27965376 0.91 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL22490944 0.86 ALDH1A1 (0.38) TSHRHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL11041151 0.86 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL30480491 0.86 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL29732507 0.84 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11122310 0.84 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
Acrylic Acid Methyl Ester SCHEMBL8758796 0.83 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28723020 0.83 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19490 0.83 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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-119548414-A Composition for lightening or whitening keratin materials 莱雅公司 2025-03-04 CN disclosed