SCHEMBL5165822

SCHEMBL5165822

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)cc1.CCc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)cc1.N#Cc1ccccc1S(=O)(=O)Nc1ccc(OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 2/20 0.45
AR P10275 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
WDR5 P61964 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC16A3 O15427 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
POLB P06746 1/20 0.40
PLA2G7 Q13093 1/20 0.40
HTT P42858 1/20 0.40
TAS2R14 Q9NYV8 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
SCHEMBL3559157 0.84 GFER (0.56) LIMK2KMT2AMEN1MAPTGFER
SCHEMBL3553957 0.84 TSHR (0.53) ARKMT2AMEN1SLC16A3GPR55
SCHEMBL3564489 0.81 GFER (0.60) LIMK2KMT2AMEN1MAPTGFER
SCHEMBL5162154 0.78 SLC16A3 (0.51) SLC16A3TAS2R14
SCHEMBL3560145 0.76 MEN1 (0.51) LIMK2ARKMT2AMEN1MAPT
SCHEMBL3558574 0.76 CACNA1H (0.48) LIMK2TDP1WDR5LMNASLC16A3
SCHEMBL3555158 0.76 CA12 (0.53) KMT2AMEN1MAPTGFERWDR5
SCHEMBL3564080 0.76 ALDH1A1 (0.63) KMT2AMEN1MAPTGFERTDP1
SCHEMBL3555752 0.75 TSHR (0.56) KMT2ASLC16A3POLBHTT
SCHEMBL5162168 0.74 HDAC3 (0.42) KMT2ALMNASLC16A3

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