SCHEMBL6662626

SCHEMBL6662626

CCCCC/C=C/COc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.35
CNR1 P21554 3/20 0.34
TNNC1 P63316 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
RARB P10826 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL6664654 1.00 PPARA (0.35) PPARACNR1TNNC1KDM4ERAB9A
SCHEMBL6658766 0.96 MEN1 (0.32) PPARACNR1TNNC1KDM4ERAB9A
SCHEMBL6658763 0.96 MEN1 (0.32) PPARACNR1TNNC1KDM4ERAB9A
SCHEMBL6661259 0.95 PPARA (0.40) PPARAKDM4ERAB9ARARBTSHR
SCHEMBL6661267 0.95 PPARA (0.40) PPARAKDM4ERAB9ARARBTSHR
SCHEMBL6659243 0.93 KDM4E (0.39) PPARAKDM4ERAB9ARARBTSHR
SCHEMBL6659237 0.93 KDM4E (0.39) PPARAKDM4ERAB9ARARBTSHR
SCHEMBL6658646 0.91 PTPN1 (0.31) RAB9A
SCHEMBL6658653 0.91 PTPN1 (0.31) RAB9A
SCHEMBL6664752 0.90 KDM4E (0.39) PPARAKDM4ERAB9ARARBTSHR

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