SCHEMBL1123467

SCHEMBL1123467

CCOC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC2A1 P11166 3/20 0.50
SLC2A4 P14672 1/20 0.50
MAOB P27338 1/20 0.50
TSPO P30536 1/20 0.50
PTGES O14684 1/20 0.49
FFAR1 O14842 1/20 0.49
NR4A2 P43354 1/20 0.49
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL1123023 0.95 MAOB (0.53) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123229 0.93 SLC2A1 (0.55) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123421 0.90 NPC1 (0.53) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1122636 0.88 BCHE (0.50) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123118 0.87 KMT2A (0.58) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123188 0.86 SLC2A1 (0.52) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123585 0.85 MAOB (0.51) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123406 0.84 NR4A2 (0.56) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123556 0.83 SLC2A1 (0.53) NPC1LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL1123181 0.83 LPAR1 (0.49) KMT2ASLC2A1MAOBMAPT

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