SCHEMBL1123585

SCHEMBL1123585

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGES O14684 2/20 0.50
NR4A2 P43354 2/20 0.50
SLC2A1 P11166 2/20 0.48
SLC2A4 P14672 1/20 0.48
BCHE P06276 5/20 0.47
ALOX5 P09917 1/20 0.47
LTC4S Q16873 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
SMPD1 P17405 1/20 0.46
SRD5A2 P31213 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
SCHEMBL1123421 0.95 NPC1 (0.53) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123556 0.94 SLC2A1 (0.53) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1122604 0.93 SLC2A1 (0.52) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123188 0.91 SLC2A1 (0.52) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123023 0.90 MAOB (0.53) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1122984 0.87 NR4A2 (0.56) MAOBKMT2APTGESNR4A2SLC2A1
SCHEMBL1123468 0.87 KMT2A (0.54) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL5720728 0.86 CYSLTR2 (0.45) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1123467 0.85 NPC1 (0.55) MAOBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL27638160 0.85 ALOX5 (0.52) NPC1LMNARAB9ASMN1; SMN2KMT2A

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