SCHEMBL6663054

SCHEMBL6663054

CC=CCOc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)s1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCL1 Q07820 1/20 0.31
PSMB5 P28074 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL6663049 1.00 MAPT (0.31) MAPTNPC1RAB9AGFERPTPN1
SCHEMBL6663627 0.91 KDM4E (0.39) MAPTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL6663631 0.91 KDM4E (0.39) MAPTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL6665388 0.89 MAPT (0.31) MAPTNPC1RAB9AGFERPTPN1
SCHEMBL6665385 0.89 MAPT (0.31) MAPTNPC1RAB9AGFERPTPN1
SCHEMBL6658646 0.88 PTPN1 (0.31) MAPTNPC1RAB9AGFERPTPN1
SCHEMBL6658653 0.88 PTPN1 (0.31) MAPTNPC1RAB9AGFERPTPN1
SCHEMBL6658763 0.86 MEN1 (0.32) MAPTRAB9APTPN1MEN1ALDH1A1
SCHEMBL6658766 0.86 MEN1 (0.32) MAPTRAB9APTPN1MEN1ALDH1A1
SCHEMBL6664654 0.85 PPARA (0.35) RAB9A

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