SCHEMBL20052233

SCHEMBL20052233

CC(=O)c1cc(CCO)ccc1CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.37
CYP4F2 P78329 4/20 0.36
CYP4A11 Q02928 4/20 0.36
ESR1 P03372 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PTGS2 P35354 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CA2 P00918 1/20 0.32
LCK P06239 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL20052258 0.78 BACE1 (0.42) PPARAKDM4EALDH1A1ALOX5GAA
SCHEMBL20052222 0.78 BACE1 (0.42) PPARAKDM4EALDH1A1ALOX5GAA
SCHEMBL30744070 0.78 KDM4E (0.45) PPARAKDM4EALDH1A1ALOX5GAA
SCHEMBL28249954 0.78 KDM4E (0.45) PPARAKDM4EALDH1A1ALOX5GAA
SCHEMBL11556307 0.75 KDM4E (0.57) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL18979298 0.73 ESR1 (0.42) KDM4EALDH1A1GAAMAPTESR1
SCHEMBL3808251 0.71 CYP4F2 (0.45) PPARAKDM4EALDH1A1ALOX5GAA
SCHEMBL20052268 0.70 ESR1 (0.35) PPARAKDM4EALDH1A1ALOX5GAA
SCHEMBL13813112 0.70 DRD2 (0.41) PPARAKDM4EALDH1A1ALOX5GAA
SCHEMBL8160238 0.69 HSD17B1 (0.44) ALDH1A1MAPTALOX15ALOX12

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
US-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 US disclosed