Sugi Predict

Sugi Predict / Compounds / SCHEMBL9506995

SCHEMBL9506995

SCHEMBL9506995

CCOP(=O)(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1)C[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 10/20 0.58
▸ MMP1 P03956 6/20 0.53
▸ MMP2 P08253 3/20 0.52
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ PSMB9 P28065 3/20 0.40
▸ FKBP4 Q02790 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
SCHEMBL9503164 1.00 MMP3 (0.58) MMP3MMP1MMP2CCNA2CDK2
SCHEMBL9506233 0.89 MMP3 (0.71) MMP3MMP1MMP2
SCHEMBL9506251 0.89 MMP3 (0.71) MMP3MMP1MMP2
SCHEMBL9506811 0.89 MMP3 (0.51) MMP3MMP1MMP2
SCHEMBL9503950 0.89 MMP3 (0.51) MMP3MMP1MMP2
SCHEMBL9506857 0.85 MMP3 (0.56) MMP3MMP1MMP2
SCHEMBL9506869 0.85 MMP3 (0.56) MMP3MMP1MMP2
SCHEMBL9503957 0.82 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL9503983 0.81 MMP3 (0.51) MMP3MMP1MMP2PSMB9
SCHEMBL9503972 0.81 MMP3 (0.51) MMP3MMP1MMP2PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 — — EP disclosed
US-5006651-A Rheumatic diseases, bone disorders HOFFMAN-LA ROCHE INC. (US) 1991-04-09 — — US disclosed
US-4885283-A Phosphinic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1989-12-05 — — US disclosed