SCHEMBL20207095

SCHEMBL20207095

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(OCCBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
FAAH O00519 10/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP17A1 P05093 1/20 0.37
EPHX2 P34913 1/20 0.37
PTPN11 Q06124 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
SCHEMBL20207023 0.91 ALDH1A1 (0.42) CA12CA1CA2CA9FAAH
SCHEMBL20207150 0.88 L3MBTL1 (0.43) CA12CA1CA2CA9FAAH
SCHEMBL20207149 0.88 L3MBTL1 (0.43) CA12CA1CA2CA9FAAH
SCHEMBL15149584 0.88 CA12 (0.41) CA12CA1CA2CA9FAAH
SCHEMBL15149719 0.87 CA12 (0.42) CA12CA1CA2CA9FAAH
SCHEMBL20207176 0.84 NR1H4 (0.37) CA12CA1CA2CA9FAAH
SCHEMBL20205009 0.83 FAAH (0.37) CA12CA1CA2CA9FAAH
SCHEMBL17560494 0.83 HRH3 (0.51) EPHX2
SCHEMBL13883542 0.83 HRH3 (0.51) EPHX2
SCHEMBL17560495 0.83 HRH3 (0.51) EPHX2

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
WO-2018097126-A1 GUANIDINE COMPOUND AND FUNGICIDE 日本曹達株式会社 2018-05-31 WO disclosed