SCHEMBL3284091

SCHEMBL3284091

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.37
ALDH1A1 P00352 6/20 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
HPGD P15428 1/20 0.35
FGFR4 P22455 1/20 0.35
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 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
SCHEMBL187960 0.85
SCHEMBL1561561 0.85
Hydrochloric Acid SCHEMBL29148781 0.81 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4419751 0.81 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9176517 0.81 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1462385 0.79 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30658 0.79
SCHEMBL28051179 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8965554 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2046536 0.78 THRB (0.41) TSHRALDH1A1TP53HIF1ACYP3A4

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
EP-1645297-B1 Biodegradable absorbent material KIMBERLY CLARK CO (US) 2010-06-16 EP claimed