SCHEMBL13265824

SCHEMBL13265824

Oc1ccc(-c2ccc(-c3ccc(-c4ccc(O)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.81
EP300 Q09472 2/20 0.59
KAT2B Q92831 2/20 0.59
KAT8 Q9H7Z6 2/20 0.59
HDAC3 O15379 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
RECQL P46063 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
APP P05067 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SNCA P37840 1/20 0.50
LDHA P00338 1/20 0.50
CTSB P07858 1/20 0.48

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
SCHEMBL442916 1.00 IDO1 (0.81) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL29638 0.90 IDO1 (1.00) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL32677325 0.90 IDO1 (1.00) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL29362983 0.90 IDO1 (1.00) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL30827114 0.85 CYP1A2 (0.62) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL11504207 0.85 CYP1A2 (0.62) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL9721905 0.84 IDO1 (0.87) IDO1EP300KAT2BKAT8HDAC3
Catechol SCHEMBL9720436 0.84 IDO1 (0.87) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL1889602 0.84 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL20599884 0.83 IDO1 (0.56) IDO1EP300KAT2BKAT8HDAC3

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-20100171109-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-08 US disclosed