SCHEMBL8031372

SCHEMBL8031372

Cc1ccc(-c2cc(F)c(C(CC(C)C)C(=O)O)cc2OCC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
FFAR4 Q5NUL3 5/20 0.41
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
CNR2 P34972 1/20 0.37
DHODH Q02127 1/20 0.36
ACACB O00763 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM5A P29375 1/20 0.35
FFAR1 O14842 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM1A O60341 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 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
SCHEMBL15494189 0.90 APP (0.47) APPFFAR4KDM4CCNR2DHODH
SCHEMBL3659869 0.89 APP (0.62) APPFFAR4PTGDR2AKR1C3AKR1C2
SCHEMBL3712241 0.84 APP (0.63) APPFFAR4KDM4CCNR2DHODH
SCHEMBL15111461 0.81 APP (0.42) APPFFAR4CNR2ACACBPDE4A
SCHEMBL3659452 0.81 APP (0.54) APPFFAR4CNR2ACACBPTGDR2
SCHEMBL3961703 0.80 APP (0.41) APPFFAR4KDM4CCNR2DHODH
SCHEMBL1203108 0.79 APP (0.56) APPFFAR4KDM4CCNR2ACACB
SCHEMBL13968158 0.78 APP (0.60) APPKEAP1NFE2L2CNR2PDE4A
SCHEMBL16488452 0.78 APP (0.51) APPDHODHPTGDR2AKR1C3AKR1C2
SCHEMBL3961706 0.78 APP (0.39) APPFFAR4KDM4CCNR2DHODH

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-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed