SCHEMBL6661259

SCHEMBL6661259

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
RARB P10826 5/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
RARA P10276 1/20 0.37
MTOR P42345 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL6661267 1.00 PPARA (0.40) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6659243 0.98 KDM4E (0.39) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6659237 0.98 KDM4E (0.39) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6664752 0.95 KDM4E (0.39) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6664654 0.95 PPARA (0.35) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6664743 0.95 KDM4E (0.39) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6662626 0.95 PPARA (0.35) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6666003 0.94 HSD17B10 (0.40) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6665997 0.94 HSD17B10 (0.40) PPARAKDM4ERAB9ARARBHSD17B10
SCHEMBL6658763 0.91 MEN1 (0.32) PPARAKDM4ERAB9ARARBHSD17B10

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