SCHEMBL27405129

SCHEMBL27405129

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 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
SCHEMBL28042819 0.78 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL28073426 0.78 TSHR (0.42) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL29078160 0.76 TSHR (0.32) TSHRALDH1A1CYP3A4HPGD
SCHEMBL28345184 0.75 TSHR (0.48) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL28125583 0.75 TSHR (0.48) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL15516294 0.74
SCHEMBL466005 0.74 THRB (0.42) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL8138225 0.74 TSHR (0.38) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL27502718 0.74 TSHR (0.38) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL8138228 0.74 ALDH1A1 (0.45) TSHRALDH1A1TP53CYP3A4MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085716-C Latex composition and its prep. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-29 CN disclosed
CN-1132776-A Latex composition and its prep. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-10-09 CN disclosed