SCHEMBL7276904

SCHEMBL7276904

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N(S(C)(=O)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.39
MMP3 P08254 5/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HRH2 P25021 6/20 0.38
HRH1 P35367 6/20 0.38
HRH3 Q9Y5N1 6/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRNA7 P36544 1/20 0.37
ADAM17 P78536 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL7272754 0.89 MMP2 (0.41) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7282456 0.88 KCNQ1 (0.46) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7274649 0.86 CHRNA7 (0.43) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7272380 0.84 MMP2 (0.41) MMP2MMP3MMP1MMP9MMP13
Hydrochloric Acid SCHEMBL7274027 0.84 ITGB3 (0.43)
SCHEMBL7272704 0.82 POLB (0.39) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7275606 0.82 MMP2 (0.42) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7283917 0.81 SLC6A7 (0.40) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7275597 0.81 KDM4E (0.40) MMP2MMP3MMP1MMP9MMP13
SCHEMBL7283484 0.81 KCNA5 (0.42) MMP2MMP3MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed