SCHEMBL3807656

SCHEMBL3807656

CCc1c(O)cc(O)c(O)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
SELE P16581 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BACE1 P56817 1/20 0.36
ALOX5 P09917 5/20 0.36
TRPA1 O75762 1/20 0.36
CYP19A1 P11511 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HKDC1 Q2TB90 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL3962866 0.86 SELL (0.39) SELLSELPSELENPC1HPGD
SCHEMBL28401269 0.86 HPGD (0.41) SELLSELPSELENPC1HPGD
SCHEMBL5677858 0.85 SELL (0.40) SELLSELPSELENPC1HPGD
SCHEMBL2222707 0.82 SELL (0.42) SELLSELPSELENPC1HPGD
SCHEMBL5586815 0.80 ALOX15 (0.43) SELLSELPSELEMAPK1HTT
SCHEMBL1760472 0.80 ALOX15 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL29668358 0.80 ALOX15 (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL3676098 0.78 BACE1 (0.37) SELLSELPSELENPC1HPGD
SCHEMBL27690770 0.78 HPGD (0.35) SELLSELPSELENPC1HPGD
SCHEMBL2065679 0.76 TRPA1 (0.48) HPGDBACE1TRPA1GABRA1GABRB2

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
WO-2009064861-A2 NITRIC OXIDE-RELEASING DIAZENIUMDIOLATED POLYMERS, COMPOSITIONS, MEDICAL DEVICES, AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-22 WO claimed
WO-2009064861-A2 NITRIC OXIDE-RELEASING DIAZENIUMDIOLATED POLYMERS, COMPOSITIONS, MEDICAL DEVICES, AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-22 WO disclosed