SCHEMBL6157826

SCHEMBL6157826

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.37
ALDH1A1 P00352 7/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
FGFR4 P22455 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 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
SCHEMBL301337 0.85 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16950293 0.84 ALDH1A1 (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6157876 0.84 ALDH1A1 (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17337913 0.82 ALDH1A1 (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4587745 0.81
SCHEMBL28495861 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
Ethane SCHEMBL16612668 0.81 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL588136 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
Potassium SCHEMBL31261840 0.79 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL28075456 0.79 LMNA (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165136-A1 Glass-ionomer cements containing amino acids UAB RESEARCH FOUNDATION (US) 2005-07-28 US claimed
EP-1503717-A1 GLASS-IONOMER CEMENTS CONTAINING AMINO ACIDS The UAB Research Foundation (US) 2005-02-09 EP claimed
WO-2003061606-A1 GLASS-IONOMER CEMENTS CONTAINING AMINO ACIDS UAB RESEARCH FOUNDATION (US) 2003-07-31 WO claimed
US-20050165136-A1 Glass-ionomer cements containing amino acids UAB RESEARCH FOUNDATION (US) 2005-07-28 US disclosed
EP-1503717-A1 GLASS-IONOMER CEMENTS CONTAINING AMINO ACIDS The UAB Research Foundation (US) 2005-02-09 EP disclosed
WO-2003061606-A1 GLASS-IONOMER CEMENTS CONTAINING AMINO ACIDS UAB RESEARCH FOUNDATION (US) 2003-07-31 WO disclosed