SCHEMBL7739341

SCHEMBL7739341

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 5/20 0.38
MMP3 P08254 1/20 0.38
PRSS1 P07477 3/20 0.35
CTSG P08311 3/20 0.35
CTRB1 P17538 3/20 0.35
CMA1 P23946 3/20 0.35
MMP9 P14780 4/20 0.35
MMP12 P39900 4/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL7739337 1.00 MEN1 (0.40) MEN1KMT2AMMP2MMP3PRSS1
SCHEMBL7742562 0.97 MEN1 (0.41) MEN1KMT2AMMP2MMP3PRSS1
SCHEMBL7742558 0.97 MEN1 (0.41) MEN1KMT2AMMP2MMP3PRSS1
SCHEMBL7740982 0.91 CTSG (0.40) MMP2PRSS1CTSGCTRB1CMA1
SCHEMBL7740986 0.91 CTSG (0.40) MMP2PRSS1CTSGCTRB1CMA1
SCHEMBL7741183 0.91 MEN1 (0.38) MEN1KMT2AMMP2MMP3PRSS1
SCHEMBL7741174 0.91 MEN1 (0.38) MEN1KMT2AMMP2MMP3PRSS1
SCHEMBL6298330 0.90 MEN1 (0.40) MEN1KMT2AMMP2MMP3PRSS1
SCHEMBL6300445 0.90 MEN1 (0.40) MEN1KMT2AMMP2MMP3PRSS1
SCHEMBL6298332 0.90 MEN1 (0.40) MEN1KMT2AMMP2MMP3PRSS1

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