SCHEMBL7740801

SCHEMBL7740801

CNC(=O)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.36
LTA4H P09960 1/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
PLK1 P53350 1/20 0.34
CYP2D6 P10635 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL7403192 1.00 SLC1A1 (0.36) SLC1A1LTA4HDPP4DPP8DPP9
SCHEMBL10078349 1.00 SLC1A1 (0.36) SLC1A1LTA4HDPP4DPP8DPP9
SCHEMBL26157583 0.90 DPP7 (0.36) SLC1A1LTA4HDPP4DPP8DPP9
SCHEMBL20998091 0.83 DPP7 (0.39) SLC1A1DPP4DPP8DPP9PLK1
SCHEMBL22373641 0.83 DPP4 (0.43) SLC1A1LTA4HDPP4DPP8DPP9
SCHEMBL24816170 0.83 SLC1A1 (0.34) SLC1A1LTA4HCYP2D6HDAC3HDAC1
SCHEMBL16305907 0.82 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7402239 0.82 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9333189 0.82 APLNR (0.42) SLC1A1LTA4HPLK1CYP2D6MEN1
SCHEMBL7366500 0.82 SLC1A1 (0.51) SLC1A1DPP4DPP8DPP9MEN1

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
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed