SCHEMBL20122013

SCHEMBL20122013

COc1ccc(-c2ccc(/C=C/C(=O)O)cc2)cc1C1(C)CC2CC(C)CC(C2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC7 Q8WUI4 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC1 Q13547 1/20 0.56
RARB P10826 5/20 0.56
RARA P10276 3/20 0.46
RARG P13631 3/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
PGR P06401 1/20 0.46
HSPD1 P10809 1/20 0.46
GOT1 P17174 1/20 0.46
GLRA1 P23415 1/20 0.46
BLM P54132 1/20 0.46
HSPE1 P61604 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL20121991 0.87 HDAC11 (0.48) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL20122014 0.86 RARB (0.72) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405795 0.86 HDAC11 (0.80) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405796 0.86 HDAC11 (0.80) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL20122027 0.86 HDAC11 (0.52) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL20018671 0.80 HDAC11 (0.50) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405444 0.77 HDAC11 (0.82) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405445 0.77 HDAC11 (0.82) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL3291795 0.76 HDAC11 (1.00) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL3291799 0.76 HDAC11 (1.00) HDAC11HDAC2HDAC7HDAC8HDAC6

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-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed