SCHEMBL5162128

SCHEMBL5162128

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1.O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2cccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
LIMK2 P53671 2/20 0.44
WDR5 P61964 1/20 0.44
PKM P14618 2/20 0.44
ATM Q13315 1/20 0.44
GFER P55789 1/20 0.43
RAB9A P51151 1/20 0.43
FABP4 P15090 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3555751 0.92 MEN1 (0.53) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL3556914 0.91 WDR5 (0.52) MEN1KMT2ALMNAHTTLIMK2
SCHEMBL3559245 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL3563411 0.84 AR (0.54) MEN1KMT2ALMNAHTTLIMK2
SCHEMBL3555874 0.83 CA12 (0.56) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL3552400 0.82 AR (0.60) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3558099 0.82 FABP1 (0.54) MEN1KMT2ALMNAHTTPKM
SCHEMBL3560475 0.81 HDAC1 (0.55) MEN1KMT2ALMNALIMK2PKM
SCHEMBL3562939 0.81 AR (0.58) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3553481 0.81 AR (0.58) MEN1KMT2ALMNAHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP claimed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO claimed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO disclosed