SCHEMBL7742511

SCHEMBL7742511

C=CC[C@@H](C[C@@H](COCOCC)NC(=O)c1ccc(C)cc1)C(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.37
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
MAPT P10636 2/20 0.36
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP12 P39900 4/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7742509 1.00 ADAM17 (0.37) ADAM17TAS1R3TAS1R1MAPTMMP2
SCHEMBL7741356 0.93 HPGD (0.39) TAS1R3TAS1R1MAPTMMP2MMP9
SCHEMBL7741360 0.93 HPGD (0.39) TAS1R3TAS1R1MAPTMMP2MMP9
SCHEMBL7734846 0.91 HTT (0.44) TAS1R3TAS1R1MAPTMMP2MMP9
SCHEMBL7734841 0.91 HTT (0.44) TAS1R3TAS1R1MAPTMMP2MMP9
SCHEMBL7735079 0.88 MMP2 (0.52) ADAM17TAS1R3TAS1R1MAPTMMP2
SCHEMBL7740375 0.88 MAPT (0.38) TAS1R3TAS1R1MAPTHDAC1HDAC6
SCHEMBL7735083 0.88 MMP2 (0.52) ADAM17TAS1R3TAS1R1MAPTMMP2
SCHEMBL7741396 0.88 MMP2 (0.52) ADAM17TAS1R3TAS1R1MAPTMMP2
SCHEMBL7740371 0.88 MAPT (0.38) TAS1R3TAS1R1MAPTHDAC1HDAC6

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 4 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 claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
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