SCHEMBL19931998

SCHEMBL19931998

CC(C)(C)OC(=O)N[C@H]1C[C@@H](C=O)C2CC1C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
BTK Q06187 1/20 0.40
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.35
CTSK P43235 4/20 0.35
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4556862 0.87 BTK (0.44) KDM1ABTKMAOBMAOANFKB1
SCHEMBL31566189 0.85 BTK (0.47) KDM1ABTKMAOBMAOANFKB1
SCHEMBL22616376 0.85 BTK (0.47) KDM1ABTKMAOBMAOANFKB1
SCHEMBL3375340 0.79 BTK (0.43) KDM1ABTKMAOBNFKB1NFKB2
SCHEMBL3377655 0.78 KDM1A (0.40) KDM1ABTKMAOBMAOANFKB1
Formic Acid SCHEMBL29541015 0.78 BTK (0.40) KDM1ABTKMAOBMAOANFKB1
SCHEMBL23281382 0.78 BTK (0.45) KDM1ABTKMAOBMAOANFKB1
SCHEMBL13158878 0.78 BTK (0.42) KDM1ABTKMAOBMAOANFKB1
SCHEMBL23562128 0.77 BTK (0.42) KDM1ABTKMAOBMAOANFKB1
SCHEMBL3384745 0.77 KDM1A (0.39) KDM1ABTKMAOBMAOANFKB1

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-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed