SCHEMBL6473016

SCHEMBL6473016

CC(C)(COCc1ccccc1)[C@@H](O)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CA1 P00915 3/20 0.46
TSHR P16473 2/20 0.45
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TRPA1 O75762 1/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
RGS12 O14924 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6473019 1.00 POLB (0.51) POLBKDM4ECA1TSHRCA2
SCHEMBL7110057 0.87 POLB (0.49) POLBKDM4ECA1TSHRCA2
SCHEMBL5694706 0.79 ADRB2 (0.44) POLBKDM4ECA1CA2CA7
SCHEMBL14349320 0.79 TSHR (0.52) POLBKDM4ECA1TSHRCA2
SCHEMBL6669107 0.78 KDM4E (0.43) POLBKDM4ECA1TSHRCA2
SCHEMBL27283884 0.78 POLB (0.45) POLBKDM4ECA1TSHRCA2
SCHEMBL6473874 0.77 LMNA (0.41) POLBKDM4EMAPK1ALDH1A1LMNA
SCHEMBL6473867 0.77 LMNA (0.41) POLBKDM4EMAPK1ALDH1A1LMNA
SCHEMBL5694734 0.77 L3MBTL1 (0.43) POLBKDM4ETSHRMAPK1ALDH1A1
SCHEMBL5344530 0.76 CA1 (0.41) POLBKDM4ECA1TSHRCA2

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-2005012209-A2 CATALYZED ENANTIOSELECTIVE TRANSFORMATION OF ALKENES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-02-10 WO disclosed