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SCHEMBL533798

SCHEMBL533798

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 10/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ KCNA5 P22460 1/20 0.30

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
SCHEMBL534323 0.93 PTGER2 (0.37) PTGER2F2
SCHEMBL533799 0.86 PTGER2 (0.34) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL3459172 0.85 PTGER2 (0.36) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL3459927 0.81 PTGER2 (0.52) PTGER2
SCHEMBL3459175 0.79 PTGER2 (0.40) PTGER2KMT2AMMP1MMP9MMP13
SCHEMBL534324 0.79 PTGER2 (0.38) PTGER2
SCHEMBL3458705 0.78 PTGER2 (0.40) PTGER2
SCHEMBL10323313 0.78 PTGER2 (0.33) PTGER2KMT2AF2
SCHEMBL10322180 0.78 PTGER2 (0.34) PTGER2MMP1MMP9MMP13
SCHEMBL534415 0.78 CTSS (0.36) PTGER2KMT2AMMP1MMP9MMP13

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