SCHEMBL4760194

SCHEMBL4760194

C=CC(=O)OCCOS(=O)(=O)CC(C(=O)C=C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 2/20 0.36

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
SCHEMBL4760195 0.80 TSHR (0.51) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29554649 0.77 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
Trimethylammonium SCHEMBL27791499 0.74 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
Trimethylammonium SCHEMBL27725118 0.72 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL94258 0.72
Ammonia Solution, Strong SCHEMBL2802434 0.71
SCHEMBL29642706 0.71
SCHEMBL1964171 0.70 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
Ammonia Solution, Strong SCHEMBL8370320 0.70 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
Trimethylammonium SCHEMBL1232522 0.70 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10

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
JP-2008019203-A ACID HAIR DYE COMPOSITION HOYU CO LTD 2008-01-31 JP disclosed
JP-2007308393-A HAIR COATING COMPOSITION HOYU CO LTD 2007-11-29 JP disclosed