SCHEMBL5483893

SCHEMBL5483893

CNC(=O)c1cc(C(=O)OC)cc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 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
SCHEMBL546298 0.89 CA1 (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL27908270 0.87 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL2033863 0.85 CA1 (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL10183617 0.85 HDAC6 (0.53) CA2POLBTDP1EPHX2NR1H4
SCHEMBL27924997 0.85 NOTUM (0.64) NOTUMCA1CA2CA12CA7
SCHEMBL545464 0.82 NOTUM (0.47) NOTUMCA1CA2CA12CA7
SCHEMBL14534693 0.82 RXRA (0.47) TDP1EPHX2NR1H4HDAC6HDAC3
SCHEMBL14508886 0.82 CNR2 (0.49) NOTUMCA1CA2CA12CA7
SCHEMBL1204263 0.82 NOTUM (0.47) NOTUMCA1CA2CA12CA7
SCHEMBL1530374 0.81 NOTUM (0.46) NOTUMCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed