SCHEMBL28797384

SCHEMBL28797384

Nc1ccc(C2(O)C=CC=CC2)cc1.Nc1cccc2c(O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
IDO1 P14902 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLAU P00749 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
4-Aminophenol SCHEMBL9806770 0.70 IDO1 (0.57) HDAC3IDO1EP300KAT2BKAT8
SCHEMBL8010161 0.70 ESR2 (0.38) ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL8006509 0.70 IDO1 (0.73) HDAC3IDO1EP300KAT2BKAT8
SCHEMBL29393764 0.70 IDO1 (0.73) HDAC3IDO1EP300KAT2BKAT8
SCHEMBL485855 0.70 IDO1 (0.73) HDAC3IDO1EP300KAT2BKAT8
SCHEMBL29702452 0.70 IDO1 (0.73) HDAC3IDO1EP300KAT2BKAT8
SCHEMBL8371459 0.70 IDO1 (0.73) HDAC3IDO1EP300KAT2BKAT8
SCHEMBL4089733 0.69 HDAC4 (0.36)
Ammonia Solution, Strong SCHEMBL2208087 0.68 IDO1 (0.70) HDAC3IDO1EP300KAT2BKAT8
SCHEMBL29706585 0.68 IDO1 (0.70) HDAC3IDO1EP300KAT2BKAT8

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
CN-102459219-A Ketal compounds and uses thereof SEGETIS INC 2012-05-16 CN disclosed