SCHEMBL7196023

SCHEMBL7196023

COc1c2ccc-2c1OC.O=P

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.39
ERN1 O75460 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
Acetone SCHEMBL9496469 0.82 HDAC4 (0.44) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL7180352 0.80 HDAC4 (0.39) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL7428480 0.79 HDAC4 (0.41) HDAC4HDAC2HDAC8KDM4EALDH1A1
Acetic Acid Methyl Ester SCHEMBL27436310 0.78 ALDH1A1 (0.50) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL6167202 0.78 KDM4E (0.42) HDAC4HDAC2HDAC8KDM4EALDH1A1
Acetonitrile SCHEMBL5698028 0.77 KDM4E (0.38) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL642228 0.77 HDAC4 (0.58) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL27855366 0.76 HDAC4 (0.37) HDAC4HDAC2HDAC8KDM4EALDH1A1
SCHEMBL3788843 0.75 ALDH1A1 (0.39) HDAC4HDAC2HDAC8KDM4EALDH1A1
Bromoacetic Acid SCHEMBL29061257 0.73 TSHR (0.43) HDAC4HDAC2HDAC8KDM4EALDH1A1

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-2003010124-A1 POLYMERIZABLE COMPOUND, polymeRIZABLE COMPOSITION AND CURED PRODUCT CONTAINING THE COMPOUND SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed