SCHEMBL21024673

SCHEMBL21024673

O=C(C1CC1c1ccc(O)cc1)n1c(=O)oc2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.37
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KDM6A O15550 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
HRH3 Q9Y5N1 5/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 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
SCHEMBL12723348 0.85 TRPM5 (0.34) NPC1MAPTRAB9AFFAR4PDE4A
SCHEMBL9607276 0.82 APP (0.45) NPC1MAPTRAB9AKDM4EMAOA
SCHEMBL20107545 0.82 APP (0.45) NPC1MAPTRAB9AKDM4EMAOA
SCHEMBL13378057 0.64 KDM4E (0.39) MAPTKDM4E
SCHEMBL14244532 0.61 FFAR1 (0.61) DEGS1
SCHEMBL22466320 0.61 FFAR1 (0.61) DEGS1
SCHEMBL22466332 0.61 FFAR1 (0.61) DEGS1
SCHEMBL4779413 0.61 FFAR1 (0.61) DEGS1
SCHEMBL15239406 0.61 FFAR1 (0.61) DEGS1
SCHEMBL15239255 0.61 FFAR1 (0.61) DEGS1

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-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed