SCHEMBL7742500

SCHEMBL7742500

CC(CC(CO)N(C)C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7742502 1.00 CRHBP (0.42) CRHBPCRHR2MMP1MMP2MMP9
SCHEMBL7740669 0.84 MMP2 (0.40) MMP1MMP2MMP9MMP13
SCHEMBL7739829 0.83 ADRB2 (0.37) CRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL7741328 0.83 MMP2 (0.40) MMP2MMP9
SCHEMBL6300234 0.83 CRHBP (0.38) CRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL6305382 0.83 ALDH1A1 (0.38) CRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL6300230 0.83 CRHBP (0.38) CRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL6305379 0.83 ALDH1A1 (0.38) CRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL7740614 0.82 CRHBP (0.50) CRHBPCRHR2MMP1ALDH1A1SMN1; SMN2
SCHEMBL7740613 0.82 CRHBP (0.50) CRHBPCRHR2MMP1ALDH1A1SMN1; SMN2

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