SCHEMBL2851825

SCHEMBL2851825

C=CC(=O)OC(CCO)OC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL28385985 0.88 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27984153 0.86 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13569464 0.85 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4907175 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27854078 0.80 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL544590 0.80 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3278404 0.80 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7766220 0.80 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2119381 0.80 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5369953 0.79 TSHR (0.50) 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
US-20100129777-A1 KIT FOR FIXING A DENTAL RESTORATION MATERIAL ON A TOOTH SUBSTANCE ERNST MÜHLBAUER GMBH & CO. KG (DE) 2010-05-27 US disclosed