SCHEMBL3278404

SCHEMBL3278404

C=CC(=O)OC(CCN)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 8/20 0.38
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.32
GABRR1 P24046 2/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
FGFR4 P22455 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
SCHEMBL28025091 0.89 TSHR (0.38) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL3284084 0.82 TSHR (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2851825 0.80 TSHR (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL544590 0.78 TSHR (0.45) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL7766220 0.78 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10430078 0.76 CHRNB2 (0.42) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9578994 0.75 TSHR (0.54) ALDH1A1CYP3A4MAPK1TSHRHPGD
SCHEMBL13569464 0.75 TSHR (0.38) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL4444011 0.75 TSHR (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL5966667 0.75 TSHR (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1

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
EP-1645297-B1 Biodegradable absorbent material KIMBERLY CLARK CO (US) 2010-06-16 EP claimed
CN-1351537-A Plastic lens systems, compositions and methods OPTICAL DYNAMICS CORP (US) 2002-05-29 CN disclosed