SCHEMBL18060434

SCHEMBL18060434

C=CC(=O)OCCO.O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
ALDH1A1 P00352 5/20 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
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 2/20 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
Adipic Acid SCHEMBL1305997 0.91 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17396285 0.84 TSHR (0.36) TSHR
Ethylene Glycol SCHEMBL3057222 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4
1,4-Butanediol SCHEMBL15542448 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL23743495 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL5903114 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL6318341 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL5902920 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL8733246 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL22543 0.73 ALDH1A1 (0.54) ALDH1A1CYP3A4

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-2178937-B1 ACRYLATED URETHANES, PROCESSES FOR MAKING THE SAME AND CURABLE COMPOSITIONS INCLUDING THE SAME Henkel IP & Holding GmbH (DE) 2016-09-21 EP claimed