SCHEMBL4775801

SCHEMBL4775801

CC1C(=O)C(C/C=C(\O)c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KLK7 P49862 1/20 0.36
STS P08842 1/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR5 P51681 3/20 0.35
USP30 Q70CQ3 2/20 0.35

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
SCHEMBL4765783 0.77 DDB1 (0.39) KDM4EPKMGPR119ALDH1A1
SCHEMBL4861150 0.72 MEN1 (0.42) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL4861156 0.72 MEN1 (0.42) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL20595777 0.71 KDM4E (0.49) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL25971389 0.71 KDM4E (0.49) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL25339309 0.71 KDM4E (0.49) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL30718564 0.67 MEN1 (0.45) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL974289 0.67 KLK7 (0.47) KDM4EPKMGPR119KLK7STS
SCHEMBL14068810 0.67 GPR119 (0.48) KDM4EPKMGPR119
SCHEMBL4870111 0.66 NPC1 (0.35) KDM4EMEN1KMT2AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592689-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-24 EP disclosed
EP-1592689-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-11-09 EP disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 WO disclosed