SCHEMBL9798283

SCHEMBL9798283

C=CC(=O)OCCOC(=O)OCCCCC1COC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.33

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
SCHEMBL231863 0.95 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9797908 0.91 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9798146 0.86 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29206140 0.82 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29893555 0.79 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9798558 0.77 NAAA (0.32)
SCHEMBL233117 0.77 TSHR (0.35) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21177794 0.77 ALOX5 (0.36)
SCHEMBL1355256 0.76 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13899137 0.76 TSHR (0.38) TSHRALDH1A1CYP3A4HPGDTP53

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-5047261-A Monoacrylated Alkylene Dicarbonate SOCIETE NATIONALE DES POURDRES ET EXPLOSIFS (FR) 1991-09-10 US disclosed