SCHEMBL17967266

SCHEMBL17967266

CC(C)(C)OC(=O)NC1CNC(c2ccc(C=O)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ KDM1A O60341 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ BTK Q06187 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ REN P00797 1/20 0.37
▸ NFKB1 P19838 3/20 0.36
▸ NFKB2 Q00653 3/20 0.36
▸ RELA Q04206 3/20 0.36
▸ JAK1 P23458 4/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ MIF P14174 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL27582222 0.85 EPHX2 (0.45) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL25053381 0.85 KDM1A (0.56) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL29952159 0.75 PIM1 (0.44) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL29373513 0.73 KDM1A (0.57) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL22086333 0.73 KDM1A (0.57) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL29116029 0.73 KDM1A (0.57) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL25053373 0.73 KDM1A (0.57) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL17967133 0.72 ALDH1A1 (0.41) NPC1RAB9A
SCHEMBL2629490 0.71 EPHX2 (0.48) EPHX2KDM1AMAOBBTKKMT2A
SCHEMBL29878142 0.71 EPHX2 (0.48) EPHX2KDM1AMAOBBTKKMT2A

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-2016124938-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 — — WO disclosed
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