SCHEMBL7740669

SCHEMBL7740669

C[C@@H](C[C@@H](CO)N(C)C(=O)c1ccc(Br)cc1)C(=O)NO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP12 P39900 2/20 0.40
CTSB P07858 1/20 0.36
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
MMP13 P45452 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
SCHEMBL7740666 1.00 MMP2 (0.40) MMP2MMP9MMP12CTSBMMP1
SCHEMBL7741328 0.88 MMP2 (0.40) MMP2MMP9MMP12
SCHEMBL7741327 0.88 MMP2 (0.40) MMP2MMP9MMP12
SCHEMBL7742502 0.84 CRHBP (0.42) MMP2MMP9MMP1MMP13
SCHEMBL7742500 0.84 CRHBP (0.42) MMP2MMP9MMP1MMP13
SCHEMBL7742596 0.81 NPC1 (0.36) MMP2MMP9MMP12
SCHEMBL7742592 0.81 NPC1 (0.36) MMP2MMP9MMP12
SCHEMBL6305496 0.81 HDAC3 (0.35) CTSB
SCHEMBL6305494 0.81 HDAC3 (0.35) CTSB
SCHEMBL7739612 0.80 LTA4H (0.43) MMP2MMP9

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