SCHEMBL15435693

SCHEMBL15435693

CCc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.44
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
IL17A Q16552 1/20 0.40
PARP1 P09874 2/20 0.40
PTGS2 P35354 1/20 0.34
CNR2 P34972 2/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
FGFR1 P11362 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL30434565 0.87 BRD4 (0.56) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL147598 0.87 BRD4 (0.56) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL348683 0.79 BRD4 (0.53) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL16625069 0.78 BRD4 (0.41) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30434546 0.77 BRD4 (0.49) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL142985 0.77 BRD4 (0.49) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL16625066 0.77 TNKS (0.42) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL348781 0.76 BRD4 (0.48) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL17284266 0.75 BRD4 (0.52) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL145706 0.74 BRD4 (0.46) BRD4HDAC1HDAC3HDAC4HDAC7

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
EP-2118074-B1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2014-01-22 EP disclosed