SCHEMBL9938378

SCHEMBL9938378

NC(=O)CC1=Nc2ccccc2CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CTSD P07339 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 2/20 0.34
CYP2D6 P10635 1/20 0.34
PTK2B Q14289 1/20 0.33
TRPA1 O75762 1/20 0.33
NOTUM Q6P988 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL85992 0.85 NOS3 (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL11065611 0.85 NOS3 (0.50) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL28406756 0.74 NOS3 (0.63) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL13645494 0.73 NOS3 (0.52) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL2075410 0.70 NOS3 (1.00) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL6069929 0.70 NOS3 (0.49) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL28228058 0.69 NOS3 (0.47) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL8021974 0.69 AKR1B1 (0.41) NOS3NOS1NOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL8324907 0.69 NOS3 (0.96) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL27457493 0.68 NOS3 (0.55) NOS3NOS1NOS2NPC1RAB9A

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
EP-2651403-A2 USE OF LP-PLA2 INHIBITORS IN THE TREATMENT AND PREVENTION OF EYE DISEASES Glaxo Group Limited (GB) 2013-10-23 EP claimed
WO-2012080497-A2 METHODS OF TREATMENT AND PREVENTION OF EYE DISEASES GLAXO GROUP LIMITED (GB) 2012-06-21 WO claimed