SCHEMBL27894597

SCHEMBL27894597

CC(C)(C)OC(=O)NN[C@H]1CCc2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
ACHE P22303 2/20 0.35
KCNA3 P22001 1/20 0.35
KDM1A O60341 1/20 0.35
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GID4 Q8IVV7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL27877844 1.00 UCHL1 (0.40) UCHL1NPC1RAB9AKMT2AMEN1
SCHEMBL29771950 0.88 UCHL1 (0.41) UCHL1NPC1RAB9AKMT2AMEN1
SCHEMBL1868501 0.88 UCHL1 (0.41) UCHL1NPC1RAB9AKMT2AMEN1
SCHEMBL1868500 0.88 UCHL1 (0.41) UCHL1NPC1RAB9AKMT2AMEN1
SCHEMBL1873295 0.88 UCHL1 (0.41) UCHL1NPC1RAB9AKMT2AMEN1
SCHEMBL29771900 0.81 TAS1R3 (0.43) UCHL1KMT2A
SCHEMBL13974108 0.81 TAS1R3 (0.43) UCHL1KMT2A
SCHEMBL13974252 0.81 TAS1R3 (0.43) UCHL1KMT2A
SCHEMBL27906103 0.80 PDPK1 (0.49) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL22501405 0.74 GID4 (0.41) NPC1KMT2AMEN1HTTMAOB

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
CN-102753022-A Selective heterocyclic sphingosine 1-phosphate receptor modulators RECEPTOS INC 2012-10-24 CN disclosed