SCHEMBL534415

SCHEMBL534415

CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(C(N)(Cc2ccc(Br)cc2)S(=O)(=O)c2cccnc2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CYP3A4 P08684 10/20 0.36
PTGER2 P43116 5/20 0.36
KMT2A Q03164 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
PTPRB P23467 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL534417 0.82 CTSS (0.40) CTSSCTSKCYP3A4PTGER2KMT2A
SCHEMBL533797 0.81 PTGER2 (0.36) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL534416 0.81 PTGER2 (0.57) PTGER2
SCHEMBL533799 0.79 PTGER2 (0.34) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL533798 0.78 PTGER2 (0.33) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL3459175 0.77 PTGER2 (0.40) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL3459169 0.77 PTGER2 (0.41) PTGER2
SCHEMBL3459172 0.76 PTGER2 (0.36) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL534322 0.73 PTGER2 (0.41) PTGER2
SCHEMBL10322180 0.71 PTGER2 (0.34) PTGER2MMP1MMP9MMP13PTPRB

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
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed