SCHEMBL5679577

SCHEMBL5679577

COc1ccc2c(c1)C(C[C]=O)CC2=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CYP19A1 P11511 8/20 0.46
MAOB P27338 6/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
PDE5A O76074 1/20 0.44
METAP1 P53582 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TNKS O95271 1/20 0.42

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
SCHEMBL10163625 0.85 LMNA (0.51) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL2419303 0.81 LMNA (0.48) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL15724892 0.80 LMNA (0.50) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL503654 0.79 SIGMAR1 (0.57) LMNAGAACYP19A1MAOBKDM4E
SCHEMBL1207853 0.78 SIGMAR1 (0.56) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL6461145 0.78 SIGMAR1 (0.53) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL13485788 0.76 PDE5A (0.67) LMNAGAACYP19A1KDM4EALDH1A1
SCHEMBL5266396 0.75 KDM4E (0.56) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL1893563 0.74 GAA (0.52) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL22319274 0.74 GAA (0.52) LMNAGAACYP19A1MAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758021-B1 Method for determining the therapeutic activity of metalloproteinase inhibitor compounds, new inhibitor compounds, and the therapeutic use thereof POLIFARMA SPA (IT) 2006-03-29 EP claimed
US-6057297-A ANTAGONIZE LETHAL EFFECTS OF CERTAIN CLASSES OF SNAKE VENOM POLIFARMA S.P.A. (IT) 2000-05-02 US claimed
US-5846755-A Method for determining the therapeutic activity of metalloproteinase inhibitor compounds POLIFARMA S.P.A. (IT) 1998-12-08 US claimed
EP-0758021-A2 Method for determining the therapeutic activity of metalloproteinase inhibitor compounds, new inhibitor compounds, and the therapeutic use thereof POLIFARMA S.p.A. (IT) 1997-02-12 EP claimed
EP-0758021-B1 Method for determining the therapeutic activity of metalloproteinase inhibitor compounds, new inhibitor compounds, and the therapeutic use thereof POLIFARMA SPA (IT) 2006-03-29 EP disclosed
US-6057297-A ANTAGONIZE LETHAL EFFECTS OF CERTAIN CLASSES OF SNAKE VENOM POLIFARMA S.P.A. (IT) 2000-05-02 US disclosed
US-5846755-A Method for determining the therapeutic activity of metalloproteinase inhibitor compounds POLIFARMA S.P.A. (IT) 1998-12-08 US disclosed
EP-0758021-A2 Method for determining the therapeutic activity of metalloproteinase inhibitor compounds, new inhibitor compounds, and the therapeutic use thereof POLIFARMA S.p.A. (IT) 1997-02-12 EP disclosed