SCHEMBL14246731

SCHEMBL14246731

CCCCCCCNC(=O)C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
RRM1 P23921 1/20 0.41
EPHX1 P07099 7/20 0.41
DPP7 Q9UHL4 2/20 0.41
METAP2 P50579 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
MMP8 P22894 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PRCP P42785 1/20 0.38
GBA1 P04062 2/20 0.38
CASP2 P42575 1/20 0.38

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
SCHEMBL20161930 0.88 EPHX2 (0.42) NAAARRM1EPHX1DPP7METAP2
SCHEMBL20161696 0.88 EPHX2 (0.42) NAAARRM1EPHX1DPP7METAP2
SCHEMBL18214274 0.88 NAAA (0.41) NAAARRM1EPHX1DPP7METAP2
SCHEMBL18214282 0.88 NAAA (0.41) NAAARRM1EPHX1DPP7METAP2
SCHEMBL1287789 0.84 EPHX1 (0.41) NAAARRM1EPHX1DPP7METAP2
SCHEMBL20161460 0.78 GJB2 (0.46)
SCHEMBL18214272 0.76 PYGB (0.43)
SCHEMBL20161577 0.76 PYGB (0.43)
SCHEMBL20161459 0.76 PYGB (0.43)
SCHEMBL20875966 0.76 IDUA (0.50) NAAARRM1EPHX1DPP7METAP2

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-2012174535-A1 SOLUTIONS FOR HISTOPROCESSING OF BIOLOGICAL SAMPLES CONSTITUTION MEDICAL, INC. (US) 2012-12-20 WO disclosed