SCHEMBL1783609

SCHEMBL1783609

C=CCOP(=O)(O)O.C=CCn1ccnc1.C=CCn1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.43
LMNA P02545 4/20 0.41
GGPS1 O95749 3/20 0.41
BTN3A1 O00481 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TBXAS1 P24557 5/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 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
Diethyl Hydrogen Phosphate SCHEMBL31154490 0.81 FDPS (0.42) FDPSLMNAGGPS1BTN3A1CA12
SCHEMBL31154489 0.81 FDPS (0.44) FDPSLMNAGGPS1BTN3A1CA12
SCHEMBL16371567 0.79 TBXAS1 (0.48) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL83887 0.79
SCHEMBL16101937 0.77
SCHEMBL16101936 0.77
Hydrochloric Acid SCHEMBL252185 0.77
Bromide SCHEMBL625730 0.77
Iodide SCHEMBL534239 0.77
SCHEMBL30438285 0.77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7942972-B2 Method for separating fructose and glucose KING SAUD UNIVERSITY (SA) 2011-05-17 US claimed
US-20090283093-A1 METHOD FOR SEPARATING FRUCTOSE AND GLUCOSE KING SAUD UNIVERSITY (SA) 2009-11-19 US claimed