SCHEMBL5160793

SCHEMBL5160793

CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)O)cc2)cc1.COc1cc(C)c(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)O)cc2)c(C)c1C.O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.67
HDAC3 O15379 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42
NMT1 P30419 1/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL3563355 0.88 SLC16A3 (0.61) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3555109 0.83 SLC16A3 (0.57) SLC16A3HDAC3NCOR2HDAC1MEN1
SCHEMBL3554361 0.82 SLC16A3 (1.00) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3554743 0.80 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3556284 0.78 SLC16A3 (0.70) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3557587 0.77 HDAC3 (0.73) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3562788 0.76 SLC16A3 (0.88) SLC16A3MEN1KMT2AGAAALDH1A1
SCHEMBL3551157 0.75 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3554928 0.75 SLC16A3 (0.70) SLC16A3NMT1
SCHEMBL3561861 0.75 SLC16A3 (0.70) SLC16A3HDAC3NCOR2HDAC1HDAC2

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
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