SCHEMBL16359181

SCHEMBL16359181

CC(C)(C)C(=O)COC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 3/20 0.47
PTGS1 P23219 2/20 0.47
NPC1 O15118 2/20 0.47
NPY5R Q15761 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
DEGS1 O15121 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KDR P35968 1/20 0.41
RPS6KA3 P51812 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
EPHX2 P34913 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL3928750 0.81 RAB9A (0.58) GAAPOLBRAB9APTGS1NPC1
SCHEMBL1621100 0.78 RAB9A (0.47) GAAPOLBRAB9APTGS1NPC1
SCHEMBL1465583 0.77 RAB9A (0.57) GAAPOLBRAB9APTGS1NPC1
SCHEMBL14960388 0.77 GAA (0.49) GAAPOLBRAB9APTGS1NPC1
SCHEMBL1620771 0.77 CNR1 (0.51) GAAPOLBRAB9APTGS1NPC1
SCHEMBL9906892 0.75 RAB9A (0.61) GAAPOLBRAB9APTGS1NPC1
SCHEMBL14960396 0.75 RAB9A (0.46) GAAPOLBRAB9APTGS1NPC1
SCHEMBL15219065 0.74 NPY5R (0.47) GAAPOLBRAB9APTGS1NPC1
SCHEMBL16358415 0.74 NPC1 (0.48) GAAPOLBRAB9APTGS1NPC1
SCHEMBL14960340 0.74 RAB9A (0.53) GAAPOLBRAB9APTGS1NPC1

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
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed