SCHEMBL5162154

SCHEMBL5162154

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2CCCc2ccc(C(=O)O)cc2)cc1.N#Cc1ccccc1S(=O)(=O)Nc1ccccc1CCCc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.51
HDAC3 O15379 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC1 Q13547 1/20 0.42
TAS2R14 Q9NYV8 2/20 0.40
METAP2 P50579 1/20 0.39
HDAC2 Q92769 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL5162168 0.92 HDAC3 (0.42) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3553428 0.91 SLC16A3 (0.57) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3556313 0.88 SLC16A3 (0.64) SLC16A3TAS2R14
SCHEMBL3555485 0.86 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3559260 0.83 SLC16A3 (0.60) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3563137 0.83 SLC16A3 (0.71) SLC16A3HDAC3NCOR2HDAC1TAS2R14
SCHEMBL3552022 0.82 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3561760 0.80 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3563493 0.80 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1TAS2R14
SCHEMBL3564319 0.80 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1METAP2

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 claimed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO claimed