SCHEMBL6661085

SCHEMBL6661085

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
THRA P10827 3/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.39
RARB P10826 7/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
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

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
SCHEMBL6657178 1.00 THRB (0.42) THRBTHRAZDHHC2RARBMEN1
SCHEMBL6660673 1.00 THRB (0.42) THRBTHRAZDHHC2RARBMEN1
SCHEMBL6660682 1.00 THRB (0.42) THRBTHRAZDHHC2RARBMEN1
SCHEMBL6657175 1.00 THRB (0.42) THRBTHRAZDHHC2RARBMEN1
SCHEMBL6661076 1.00 THRB (0.42) THRBTHRAZDHHC2RARBMEN1
SCHEMBL6663350 0.99 THRB (0.43) THRBTHRAZDHHC2RARBMEN1
SCHEMBL6663341 0.99 THRB (0.43) THRBTHRAZDHHC2RARBMEN1
SCHEMBL6659031 0.98 THRB (0.44) THRBTHRAZDHHC2ALDH1A1MAPT
SCHEMBL6659035 0.98 THRB (0.44) THRBTHRAZDHHC2ALDH1A1MAPT
SCHEMBL6662330 0.95 THRB (0.39) THRBTHRAZDHHC2RARBMEN1

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