SCHEMBL7734890

SCHEMBL7734890

C[C@@H](C[C@@H](COC(=O)C(C)(C)C)NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.74
MMP9 P14780 6/20 0.74
MMP12 P39900 4/20 0.74
ADAM17 P78536 1/20 0.46
MMP1 P03956 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MMP13 P45452 5/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
UTS2R Q9UKP6 1/20 0.38
LMNA P02545 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL7734888 1.00 MMP2 (0.74) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7739609 0.88 MMP2 (0.58) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL7739605 0.88 MMP2 (0.58) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL8403058 0.84 MMP2 (0.80) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL8065994 0.84 MMP2 (0.80) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL5997913 0.84 MMP2 (1.00) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL5997918 0.84 MMP2 (1.00) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL5998377 0.82 MMP2 (0.73) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL5998380 0.82 MMP2 (0.73) MMP2MMP9MMP12ADAM17MMP1
SCHEMBL3043179 0.82 MMP2 (0.72) MMP2MMP9MMP12ADAM17MMP1

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