SCHEMBL8254705

SCHEMBL8254705

CC1(N)CC=C(CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 3/20 0.35
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
GFER P55789 1/20 0.34
PTPN11 Q06124 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8249287 0.85 KDM4A (0.35) KDM4ACA12CA1CA2CA9
SCHEMBL8255477 0.83 FPR3 (0.36) KDM4ACA12CA1CA2CA9
SCHEMBL8249310 0.83 KDM4A (0.36) KDM4ACA12CA1CA2CA9
SCHEMBL13594020 0.81 CTSS (0.36) KDM4APTPN11
SCHEMBL13185407 0.81 KDM4A (0.37) KDM4ACA12CA1CA2CA9
SCHEMBL8252983 0.80 KDM4A (0.34) KDM4ACA12CA1CA2CA9
SCHEMBL8245984 0.77 KDM4A (0.34) KDM4ACA12CA1CA2CA9
SCHEMBL13185408 0.75 USP2 (0.38) CA12CA1CA2CA9DRD2
SCHEMBL30602991 0.75 ALDH1A1 (0.43) KDM4ACA12CA1CA2CA9
SCHEMBL13594011 0.74 CYP1A2 (0.34) KDM4ACA12CA1CA2CA9

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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed