SCHEMBL8480599

SCHEMBL8480599

O=C(CC(CCN1C(=O)c2ccccc2C1=O)C(=O)O)c1ccc(-c2ccc(C#CO)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.48
MMP9 P14780 20/20 0.48
MMP3 P08254 3/20 0.47
MMP13 P45452 3/20 0.47
MMP1 P03956 1/20 0.47

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
SCHEMBL7860511 0.86 MMP2 (0.47) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6291932 0.85 MMP2 (0.48) MMP2MMP9MMP3MMP13MMP1
SCHEMBL4654577 0.84 MMP2 (0.59) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6296089 0.84 GSK3B (0.55) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7378575 0.84 MMP2 (0.59) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7347186 0.84 MMP2 (0.59) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7865124 0.84 TSHR (0.58) MMP2MMP9MMP3MMP13MMP1
SCHEMBL8482551 0.84 MMP2 (0.52) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7864883 0.82 MMP2 (0.45) MMP2MMP9MMP3MMP13MMP1
SCHEMBL4318837 0.82 MMP2 (0.56) MMP2MMP9MMP3MMP13MMP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968795-A ANTIARTHRITIC/ANTIINFLAMMATORY/ANTIMETASTASIS/ANTIFERTILITY/ ANTITUMOR AGENTS; FOR TREATMENT OF ORAL/CARDIOVASCULAR DISEASES, VISION DEFECTS, PROTEINURIA, DYSTROPHOBIC EPIDERMOLYSIS, BULLOSA, BONE/NERVOUS SYSTEM DISORDERS BAYER CORPORATION (US) 1999-10-19 US disclosed