SCHEMBL6892007

SCHEMBL6892007

C=C(c1ccc(C(=O)Nc2cccc(C=O)c2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
RXRB P28702 6/20 0.57
RXRG P48443 6/20 0.57
RARB P10826 6/20 0.57
CYP26A1 O43174 5/20 0.57
RARG P13631 5/20 0.57
CYP26B1 Q9NR63 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57

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
SCHEMBL15961496 0.87 RXRA (0.67) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5540268 0.86 RXRA (0.66) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5540299 0.85 RXRA (0.69) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7889455 0.84 RXRA (0.61) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5534931 0.82 RXRA (0.72) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4532789 0.81 RXRA (0.71) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL727916 0.81 RXRA (0.70) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6890868 0.81 RXRA (0.79) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6890302 0.80 RXRA (0.69) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL22560751 0.78 RXRA (0.81) RXRAHDAC3HDAC4HDAC1HDAC7

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
WO-2011006157-A2 RXR AGONIST COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2011-01-13 WO disclosed