SCHEMBL1123468

SCHEMBL1123468

COC(=O)CCN(Cc1cccc(OCc2ccccc2)c1)C(=O)c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
PTGES O14684 1/20 0.53
SLC2A1 P11166 4/20 0.52
MAOB P27338 1/20 0.52
SLC2A4 P14672 1/20 0.52
NR4A2 P43354 1/20 0.51
FFAR1 O14842 1/20 0.51
SMPD1 P17405 2/20 0.50
TSHR P16473 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LPAR1 Q92633 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
SCHEMBL1123260 0.93 FFAR1 (0.60) KMT2APTGESSLC2A1MAOBSLC2A4
SCHEMBL1123126 0.91 BCHE (0.53) KMT2APTGESSLC2A1MAOBNR4A2
SCHEMBL1123559 0.89 FFAR1 (0.62) KMT2APTGESSLC2A1MAOBSLC2A4
SCHEMBL1123421 0.88 NPC1 (0.53) KMT2APTGESSLC2A1MAOBSLC2A4
SCHEMBL1122984 0.88 NR4A2 (0.56) KMT2APTGESSLC2A1MAOBSLC2A4
SCHEMBL1122854 0.87 FFAR1 (0.60) PTGESSLC2A1SLC2A4NR4A2FFAR1
SCHEMBL1123585 0.87 MAOB (0.51) KMT2APTGESSLC2A1MAOBSLC2A4
SCHEMBL1123113 0.86 FFAR1 (0.62) PTGESSLC2A1SLC2A4NR4A2FFAR1
SCHEMBL1122604 0.85 SLC2A1 (0.52) KMT2APTGESSLC2A1SLC2A4FFAR1
SCHEMBL1122938 0.85 BCHE (0.55) KMT2APTGESMAOBNR4A2FFAR1

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