SCHEMBL28428709

SCHEMBL28428709

C=CC(=O)OCCC(N)(CC)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 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
SCHEMBL28018653 0.91 TSHR (0.51) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1642946 0.82 TSHR (0.53) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28340198 0.78 THRB (0.45) THRBTSHRALDH1A1
SCHEMBL4387476 0.75 TSHR (0.42) THRBTSHRHPGDALDH1A1TP53
Acrylamide SCHEMBL27686782 0.74 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL1462384 0.74 TSHR (0.52) THRBTSHRHPGDALDH1A1TP53
SCHEMBL13160476 0.74 THRB (0.66) THRBTSHRHPGDALDH1A1TP53
SCHEMBL23493554 0.74 THRB (0.53) THRBTSHRHPGDALDH1A1TP53
SCHEMBL9635084 0.74 TSHR (0.56) THRBTSHRHPGDALDH1A1TP53
Ammonia Solution, Strong SCHEMBL28120206 0.73 TSHR (0.43) THRBTSHRHPGDALDH1A1TP53

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-110205025-B Super-hydrophilic coating taking organic polysilazane as anchor molecule and preparation method thereof 华南理工大学 2020-07-28 CN disclosed