SCHEMBL6658766

SCHEMBL6658766

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
RARB P10826 6/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PPARA Q07869 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RARA P10276 1/20 0.30
MTOR P42345 1/20 0.30
CNR1 P21554 1/20 0.30
TNNC1 P63316 1/20 0.30
PTPN1 P18031 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
SCHEMBL6658763 1.00 MEN1 (0.32) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL6664654 0.96 PPARA (0.35) KDM4ERAB9ARARBPPARATSHR
SCHEMBL6662626 0.96 PPARA (0.35) KDM4ERAB9ARARBPPARATSHR
SCHEMBL6659237 0.94 KDM4E (0.39) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6659243 0.94 KDM4E (0.39) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6658653 0.92 PTPN1 (0.31) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL6658646 0.92 PTPN1 (0.31) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL6661259 0.91 PPARA (0.40) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6661267 0.91 PPARA (0.40) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6664743 0.89 KDM4E (0.39) MEN1ALDH1A1MAPTKMT2AKDM4E

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