SCHEMBL6658586

SCHEMBL6658586

CCCCCCc1ccc(-c2ccc(-c3ccc(OCCC)s3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
RARB P10826 8/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
RARA P10276 2/20 0.44
MTOR P42345 1/20 0.44
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL6418550 0.83 HSD17B10 (0.57) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6666003 0.82 HSD17B10 (0.40) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6665997 0.82 HSD17B10 (0.40) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL14703081 0.82 HSD17B10 (0.56) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL2466020 0.82 HSD17B10 (0.55) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6418801 0.82 HSD17B10 (0.55) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6658989 0.82 KDM4E (0.39) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6663627 0.82 KDM4E (0.39) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6658995 0.82 KDM4E (0.39) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6663631 0.82 KDM4E (0.39) HSD17B10TSHRRARBALDH1A1MEN1

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