SCHEMBL533799

SCHEMBL533799

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 16/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL534324 0.92 PTGER2 (0.38) PTGER2
SCHEMBL10322180 0.91 PTGER2 (0.34) PTGER2MMP1MMP9MMP13
SCHEMBL10323313 0.91 PTGER2 (0.33) PTGER2KMT2A
SCHEMBL534169 0.90 PTGER2 (0.40) PTGER2
SCHEMBL533712 0.90 PTGER2 (0.40) PTGER2
SCHEMBL13571748 0.89 PTGER2 (0.42) PTGER2
SCHEMBL533599 0.89 PTGER2 (0.42) PTGER2
SCHEMBL11021481 0.89 PTGER2 (0.41) PTGER2
SCHEMBL533581 0.88 PTGER2 (0.33) PTGER2
SCHEMBL533288 0.88 PTGER2 (0.43) PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed