SCHEMBL7916012

SCHEMBL7916012

CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.58
ACE P12821 9/20 0.58
CPA1 P15085 9/20 0.58
ACE2 Q9BYF1 9/20 0.58
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
CA2 P00918 1/20 0.47
MMP13 P45452 2/20 0.46
ADAMTS4 O75173 1/20 0.46
FPR2 P25090 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
ADAM17 P78536 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL7444546 0.92 MMP13 (0.52) MMEACECPA1ACE2ITGB3
SCHEMBL7447456 0.83 MME (0.56) MMEACECPA1ACE2ITGB3
SCHEMBL7514233 0.79 MME (0.49) MMEACECPA1ACE2ITGB3
SCHEMBL7453286 0.76 PDE4D (0.55) MMEACECPA1ACE2CA2
SCHEMBL8742293 0.75 SLC1A3 (0.67) MMP13ADAMTS4MMP1MMP9
SCHEMBL7133839 0.74 SLC1A3 (0.45) MMEACECPA1ACE2MMP13
SCHEMBL7451514 0.73 ITGB3 (0.55) ITGB3ITGAVADAMTS4FPR2MEN1
SCHEMBL7445482 0.73 MME (0.58) MMEACECPA1ACE2ITGB3
SCHEMBL8389137 0.73 MMP2 (0.69) ITGB3MMP13ADAMTS4MMP1MMP9
SCHEMBL8647491 0.73 MMP2 (0.69) ITGB3MMP13ADAMTS4MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221888-B1 ANTIHISTAMINE, ANTIINFLAMMATORY AGENT, AUTOIMMUNE DISEASE, RHEUMATIC DISORDERS MERCK & CO., INC. 2001-04-24 US claimed