SCHEMBL15445192

SCHEMBL15445192

Cn1cc(COCCOC(C)(C)CCOC(C)(C)CCn2cc(CO)nn2)nn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.35
DGAT1 O75907 4/20 0.35
NOTUM Q6P988 1/20 0.33
P2RX7 Q99572 1/20 0.32
MMP2 P08253 3/20 0.31
MMP9 P14780 3/20 0.31
MMP8 P22894 3/20 0.31
MMP13 P45452 3/20 0.31
DPP4 P27487 1/20 0.31
LGALS3 P17931 1/20 0.31
NCF1 P14598 2/20 0.31
ALOX5 P09917 1/20 0.30
ABCC1 P33527 2/20 0.30
ABCG2 Q9UNQ0 2/20 0.30
ABCB1 P08183 1/20 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
SCHEMBL15445150 0.77 DPP4 (0.39) NOTUMP2RX7DPP4
SCHEMBL20216912 0.76 DGAT1 (0.39) HSP90AB1DGAT1NOTUMNCF1ALOX5
SCHEMBL22384825 0.74 DGAT1 (0.33) HSP90AB1DGAT1P2RX7MMP2MMP9
SCHEMBL22380843 0.72
SCHEMBL19576264 0.71 NOTUM (0.39) NOTUMP2RX7MMP2MMP9MMP8
SCHEMBL15445151 0.71 P2RX7 (0.36) HSP90AB1DGAT1P2RX7
SCHEMBL24372151 0.70 NCF1 (0.43) HSP90AB1DGAT1NCF1ABCC1ABCG2
SCHEMBL26846503 0.70 ALOX5 (0.32) HSP90AB1ALOX5
SCHEMBL1170302 0.69
SCHEMBL19576265 0.69 NOTUM (0.39) NOTUMP2RX7DPP4LGALS3NCF1

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-2690105-A1 Mannose derivatives, a process for preparing the same and their uses as a drug Centre National De La Recherche Scientifique (FR) 2014-01-29 EP disclosed