SCHEMBL7742730

SCHEMBL7742730

COCCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.46
MMP9 P14780 4/20 0.46
MMP12 P39900 4/20 0.46
MMP3 P08254 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PPARG P37231 1/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36

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
SCHEMBL7742724 1.00 MMP2 (0.46) MMP2MMP9MMP12MMP3MEN1
SCHEMBL7742558 0.90 MEN1 (0.41) MMP2MMP9MMP12MMP3MEN1
SCHEMBL7742562 0.90 MEN1 (0.41) MMP2MMP9MMP12MMP3MEN1
SCHEMBL7734962 0.90 MMP2 (0.54) MMP2MMP9MMP12MMP3MEN1
SCHEMBL7734969 0.90 MMP2 (0.54) MMP2MMP9MMP12MMP3MEN1
SCHEMBL7740160 0.90 MEN1 (0.45) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7740078 0.90 MMP2 (0.47) MMP2MMP9MMP12MMP3MEN1
SCHEMBL7740162 0.90 MEN1 (0.45) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7740075 0.90 MMP2 (0.47) MMP2MMP9MMP12MMP3MEN1
SCHEMBL7739341 0.89 MEN1 (0.40) MMP2MMP9MMP12MMP3MEN1

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