SCHEMBL20121991

SCHEMBL20121991

COc1ccc(Nc2ccc(/C=C/C(=O)O)cc2)cc1C1(C)CC2CC(C)CC(C2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RARB P10826 2/20 0.44
TOP2A P11388 3/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL20122000 0.87 RARB (0.56) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL20122013 0.87 HDAC11 (0.61) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL17916281 0.87 HDAC11 (0.44) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL16516253 0.87 HDAC11 (0.63) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL16516252 0.87 HDAC11 (0.63) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL20122035 0.81 EPHX2 (0.47) SMN1; SMN2IDH1POLB
SCHEMBL16517400 0.75 RARB (0.74) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL17911574 0.75 RARB (0.74) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL17916353 0.74 RARB (0.50) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL20122027 0.74 HDAC11 (0.52) HDAC11HDAC2HDAC1HDAC7HDAC8

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