SCHEMBL6518913

SCHEMBL6518913

Cc1cccc(CN(CCC(=O)O)Cc2cccc(CC3CCCCC3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
FAAH O00519 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.40
NR1H4 Q96RI1 3/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RAB9A P51151 1/20 0.38
PTGES O14684 1/20 0.38
PPM1D O15297 1/20 0.38

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
SCHEMBL6515075 0.89 GAA (0.41) NPC1FAAHALDH1A1GAAL3MBTL1
SCHEMBL6533750 0.89 GAA (0.43) NPC1FAAHALDH1A1GAAL3MBTL1
SCHEMBL6511522 0.88 GAA (0.40) NPC1FAAHALDH1A1GAAL3MBTL1
SCHEMBL6509181 0.83 ALDH1A1 (0.39) NPC1ALDH1A1GAAL3MBTL1HTT
SCHEMBL6509243 0.83 SLC2A1 (0.48) NPC1ALDH1A1
SCHEMBL6511195 0.81 NPC1 (0.42) NPC1ALDH1A1L3MBTL1NR1H4SLC6A2
SCHEMBL6508828 0.81 MAPT (0.43) NPC1
SCHEMBL6516272 0.80 ATM (0.41) NPC1ALDH1A1L3MBTL1NR1H4SLC6A2
SCHEMBL6512357 0.79 TAS2R14 (0.43) NPC1ALDH1A1L3MBTL1HTTRAB9A
SCHEMBL2702398 0.78 NPC1 (0.56) NPC1FAAHALDH1A1MCOLN3SLC6A4

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed