SCHEMBL6511522

SCHEMBL6511522

Cc1csc(CN(CCC(=O)O)Cc2cccc(CC3CCCCC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.36
FAAH O00519 1/20 0.36
MAOA P21397 1/20 0.36
PPM1D O15297 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
ATM Q13315 1/20 0.34
MEP1B Q16820 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
PLAU P00749 1/20 0.34
FFAR1 O14842 1/20 0.34
KEAP1 Q14145 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
SCHEMBL6518913 0.88 NPC1 (0.50) GAAALDH1A1L3MBTL1NPC1FAAH
SCHEMBL6512333 0.85 SLC2A1 (0.45) FFAR1
SCHEMBL6533389 0.83 MAPT (0.41) MEP1BFFAR1
SCHEMBL6512010 0.83 LTB4R (0.42) L3MBTL1NPC1MAOAMEN1KMT2A
SCHEMBL6533750 0.82 GAA (0.43) GAAALDH1A1L3MBTL1NPC1FAAH
SCHEMBL6515075 0.82 GAA (0.41) GAAALDH1A1L3MBTL1NPC1FAAH
SCHEMBL6511525 0.80 LTB4R (0.40) OPRM1OPRD1OPRK1MEP1BFFAR1
SCHEMBL6511514 0.79 OPRM1 (0.37) HPGDMEN1KMT2AOPRM1OPRD1
SCHEMBL6509240 0.79 PPARA (0.41) OPRM1OPRD1OPRK1FFAR1
SCHEMBL6508460 0.79 HTR2C (0.36) L3MBTL1HPGDMAOAMEN1KMT2A

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