SCHEMBL27638043

SCHEMBL27638043

O=C(O)CC(NC(=O)c1ccccc1OCc1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.52
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CAPN1 P07384 1/20 0.49
FFAR1 O14842 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
KIFC1 Q9BW19 1/20 0.47

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
SCHEMBL4092410 0.95 FFAR1 (0.53) SGMS2FFAR1KIFC1
SCHEMBL27638080 0.93 FFAR1 (0.50) SGMS2CAPN1FFAR1KMT2A
SCHEMBL6182302 0.84 SMN1; SMN2 (0.58) NPC1MAPTFFAR1ALDH1A1
SCHEMBL27871429 0.84 SMN1; SMN2 (0.58) NPC1MAPTFFAR1ALDH1A1
SCHEMBL5927406 0.84 LRRK2 (0.49) LMNAFFAR1ALDH1A1KIFC1
SCHEMBL27658918 0.81 GPR132 (0.64) FFAR1KMT2A
SCHEMBL5927212 0.81 FFAR1 (0.56) NPC1FFAR1
SCHEMBL27658913 0.80 GPR132 (0.65) MEN1KMT2A
SCHEMBL27658922 0.78 GPR132 (0.62) FFAR1KMT2A
SCHEMBL5926998 0.78 LRRK2 (0.49) LMNAALDH1A1KIFC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN claimed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed