SCHEMBL5584012

SCHEMBL5584012

Fc1ccc(Oc2ccc(NC3CCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
EPHX1 P07099 2/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
LTA4H P09960 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 2/20 0.41

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
SCHEMBL7837054 0.89 NPC1 (0.56) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL3080079 0.89 NPC1 (0.56) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL1566071 0.87 MAPT (0.53) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL539395 0.79 DDB1 (0.46) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL3400048 0.79 MAPT (0.61) SMN1; SMN2NPC1RAB9AEPHX1MAPT
SCHEMBL78145 0.79 MAPT (0.61) SMN1; SMN2NPC1RAB9AEPHX1MAPT
SCHEMBL11526941 0.79 MAPT (0.61) SMN1; SMN2NPC1RAB9AEPHX1MAPT
Hydrochloric Acid SCHEMBL1918398 0.77 DDB1 (0.44) NPC1RAB9AEPHX1MAPTLMNA
SCHEMBL11526739 0.77 MAPT (0.63) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL674674 0.77 RAB9A (0.59) SMN1; SMN2NPC1RAB9AEPHX1MAPT

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-1814875-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE The Regents of the University of California (US) 2007-08-08 EP disclosed
WO-2006045119-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-27 WO disclosed