SCHEMBL6656956

SCHEMBL6656956

CCC=CC(=O)Oc1ccc(-c2ccc(-c3ccc(CCC)s3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
APP P05067 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6656949 1.00 THRB (0.39) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6659640 0.99 THRB (0.40) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6659633 0.99 THRB (0.40) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6665305 0.92 THRB (0.42) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6665298 0.92 THRB (0.42) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6660632 0.91 THRB (0.38) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6660629 0.91 THRB (0.38) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6664777 0.90 THRB (0.43) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6664773 0.90 THRB (0.43) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6657454 0.90 THRB (0.39) THRBHDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165721-B1 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING QINETIQ LTD (GB) 2004-08-04 EP disclosed
US-6696110-B1 THERMOGRAPHY QINETIQ LIMITED (GB) 2004-02-24 US disclosed