SCHEMBL6660653

SCHEMBL6660653

CCCC=CC(=O)Oc1ccc(-c2ccc(CCCCCCC)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.38
THRA P10827 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
PPARA Q07869 1/20 0.35
MGLL Q99685 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
RARB P10826 3/20 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
SCHEMBL6660644 1.00 THRB (0.41) THRBZDHHC2THRACNR1CNR2
SCHEMBL6657342 1.00 THRB (0.41) THRBZDHHC2THRACNR1CNR2
SCHEMBL6657587 1.00 THRB (0.41) THRBZDHHC2THRACNR1CNR2
SCHEMBL6657583 1.00 THRB (0.41) THRBZDHHC2THRACNR1CNR2
SCHEMBL6657336 1.00 THRB (0.41) THRBZDHHC2THRACNR1CNR2
SCHEMBL6664189 0.99 THRB (0.42) THRBZDHHC2THRACNR1CNR2
SCHEMBL6664193 0.99 THRB (0.42) THRBZDHHC2THRACNR1CNR2
SCHEMBL6663089 0.98 THRB (0.41) THRBZDHHC2THRACNR1CNR2
SCHEMBL6663093 0.98 THRB (0.41) THRBZDHHC2THRACNR1CNR2
SCHEMBL6661319 0.95 THRB (0.38) THRBZDHHC2CNR1CNR2MGLL

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 4 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
EP-1165721-A2 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING THE SECRETARY OF STATE FOR DEFENCE (GB) 2002-01-02 EP disclosed
WO-2000060027-A2 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING QINETIQ LIMITED (GB) 2000-10-12 WO disclosed