SCHEMBL8410486

SCHEMBL8410486

COC(=O)CCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.64
MMP2 P08253 7/20 0.64
MMP1 P03956 1/20 0.63
MMP9 P14780 1/20 0.63
MMP13 P45452 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HRH3 Q9Y5N1 4/20 0.50
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48

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
SCHEMBL8410478 0.96 MMP3 (0.71) MMP3MMP2MMP1MMP9MMP13
SCHEMBL6328940 0.95 MAPT (0.58) MMP3MMP2MMP1MMP9MMP13
SCHEMBL1285443 0.94 HDAC1 (0.71) MMP3MMP2MMP1MMP9MMP13
SCHEMBL4832930 0.91 MMP3 (0.63) MMP3MMP2MMP1MMP9MMP13
SCHEMBL13087979 0.88 MMP2 (0.62) MMP3MMP2MMP1MMP9MMP13
SCHEMBL1285386 0.86 MMP2 (0.61) MMP3MMP2MMP1MMP9MMP13
SCHEMBL1285929 0.86 MMP2 (0.61) MMP3MMP2MMP1MMP9MMP13
SCHEMBL1715131 0.83 HDAC1 (0.57) MMP3MMP2MMP1MMP9MMP13
SCHEMBL1285747 0.83 MMP2 (0.85) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7364711 0.83 HDAC3 (0.65) MMP3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed