SCHEMBL6662723

SCHEMBL6662723

CCC=CC(=O)Oc1ccc(-c2ccc(CC)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
APP P05067 2/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B2 P37059 2/20 0.34
HSD17B1 P14061 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 4/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
SCHEMBL6662716 1.00 POLB (0.38) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6659178 0.90 APP (0.44) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6659174 0.90 APP (0.44) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6660282 0.90 POLB (0.36) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6659633 0.90 THRB (0.40) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6660285 0.90 POLB (0.36) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6659640 0.90 THRB (0.40) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6656949 0.88 THRB (0.39) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6656956 0.88 THRB (0.39) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6662600 0.88 POLB (0.39) POLBAPPKDM4ESMN1; SMN2NPC1

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