SCHEMBL19001407

SCHEMBL19001407

C=CC(=O)OCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCCOC(=O)NC3CCC(CC4CCC(NC(=O)OCCOC(=O)C=C)CC4)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
TSHR P16473 5/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAAA Q02083 7/20 0.37
ASAH1 Q13510 1/20 0.36

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
SCHEMBL16375422 0.99 TSHR (0.50) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL15893893 0.97 EPHX1 (0.47) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL11510008 0.96 TSHR (0.44) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL19628849 0.93 EPHX1 (0.43) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL22190108 0.90 EPHX1 (0.42) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL18485517 0.89 EPHX1 (0.44) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL23078682 0.84 EPHX1 (0.50) EPHX1ALDH1A1KMT2AGAAMAPK1
SCHEMBL13966708 0.83 KMT2A (0.41) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL22190104 0.82 EPHX1 (0.47) EPHX1TSHRALDH1A1CYP3A4HPGD
SCHEMBL21304404 0.81 EPHX1 (0.46) EPHX1TSHRALDH1A1CYP3A4HPGD

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
WO-2017103655-A1 OPTICAL FIBRE WITH ENHANCED HIGH TEMPERATURE RESISTANCE PRYSMIAN S.P.A. (IT) 2017-06-22 WO disclosed