SCHEMBL20122000

SCHEMBL20122000

CC1CC2CC(C1)CC(C)(c1cc(Nc3ccc(/C=C/C(=O)O)cc3)ccc1O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.56
PTPN11 Q06124 6/20 0.48
NR0B2 Q15466 2/20 0.48
HDAC11 Q96DB2 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
RARA P10276 2/20 0.45
RARG P13631 2/20 0.45
RXRA P19793 1/20 0.41
CYP26A1 O43174 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.38

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) RARBPTPN11NR0B2HDAC11HDAC7
SCHEMBL20122014 0.86 RARB (0.72) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL17916353 0.86 RARB (0.50) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL17911574 0.86 RARB (0.74) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL16517400 0.86 RARB (0.74) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL20122021 0.80 EPHX2 (0.50) CYP26A1IDH1
SCHEMBL20018663 0.76 PTPN11 (0.56) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL16516252 0.75 HDAC11 (0.63) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL16516253 0.75 HDAC11 (0.63) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL17916281 0.74 HDAC11 (0.44) RARBHDAC11HDAC7HDAC2HDAC8

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