SCHEMBL1123023

SCHEMBL1123023

CCOC(=O)CN(Cc1cccc(OCc2ccccc2)c1)C(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.53
NR4A2 P43354 2/20 0.52
PTGES O14684 2/20 0.52
SLC2A1 P11166 2/20 0.50
SLC2A4 P14672 1/20 0.50
BCHE P06276 3/20 0.49
ALOX5 P09917 1/20 0.48
LTC4S Q16873 1/20 0.48
SMPD1 P17405 1/20 0.48
SRD5A2 P31213 1/20 0.47
PTPN1 P18031 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL1123467 0.95 NPC1 (0.55) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123229 0.94 SLC2A1 (0.55) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1122636 0.91 BCHE (0.50) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123585 0.90 MAOB (0.51) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123174 0.87 NR4A2 (0.59) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123226 0.86 L3MBTL1 (0.43) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123421 0.85 NPC1 (0.53) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123556 0.83 SLC2A1 (0.53) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123059 0.83 SMPD1 (0.54) MAOBKMT2ANR4A2PTGESSLC2A1
SCHEMBL1123324 0.83 LPAR1 (0.46) MAOBKMT2APTGESSLC2A1

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed