SCHEMBL28027879

SCHEMBL28027879

CC(C)C=Cc1cccc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MDM4 O15151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TP53 P04637 1/20 0.44
TYR P14679 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CA5A P35218 1/20 0.44
HTT P42858 1/20 0.44
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL13614224 1.00 HDAC4 (0.46) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL16105690 0.82 AHR (0.52) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL16105692 0.82 AHR (0.52) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL16105818 0.82 AHR (0.52) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL14051358 0.82 TYR (0.46) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL13703011 0.80 HDAC4 (0.42) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL13703008 0.80 HDAC4 (0.42) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL38650793 0.80 HDAC4 (0.44) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL14157350 0.79 TYR (0.42) HDAC4HDAC8CYP3A4MAPTKDM4E
SCHEMBL11467711 0.79 TYR (0.45) HDAC4HDAC8CYP3A4MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104981492-A Organopolysiloxane graft polymer KAO CORP 2015-10-14 CN disclosed
CN-104812790-A Organopolysiloxane graft polymer KAO CORP 2015-07-29 CN disclosed