SCHEMBL7422259

SCHEMBL7422259

COCOCCON1C(=O)[C@@H](N)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 12/20 0.47
KYAT3 Q6YP21 4/20 0.47
KYAT1 Q16773 3/20 0.47
GOT1 P17174 1/20 0.47
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 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
Hydrochloric Acid SCHEMBL1239293 0.82 AADAT (0.51) AADATKYAT3KYAT1GOT1
SCHEMBL7423513 0.81 AADAT (0.45) AADATKYAT3KYAT1GOT1
SCHEMBL4801687 0.79 AADAT (0.59) AADATKYAT3KYAT1GOT1
SCHEMBL14170038 0.79 AADAT (0.59) AADATKYAT3KYAT1GOT1
SCHEMBL9198224 0.78 AADAT (0.49) AADATKYAT3KYAT1GOT1
Hydrochloric Acid SCHEMBL7416859 0.77 AADAT (0.58) AADATKYAT3KYAT1GOT1
SCHEMBL7419579 0.77 AADAT (0.51) AADATKYAT3KYAT1GOT1
SCHEMBL16613090 0.76 AADAT (0.52) AADATKYAT3KYAT1GOT1GAA
SCHEMBL4071608 0.74 AADAT (0.48) AADATKYAT3KYAT1GOT1GAA
SCHEMBL9200143 0.73 AADAT (0.44) AADATKYAT3KYAT1GOT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed