SCHEMBL6736726

SCHEMBL6736726

CCCCCCCCCc1ccc(-c2nc3c4nc(-c5ccc(CCCCCCCCC)cc5)c(-c5ccc(CCCCCCCCC)cc5)nc4c4nc(-c5ccc(CCCCCCCCC)cc5)c(-c5ccc(CCCCCCCCC)cc5)nc4c3nc2-c2ccc(CCCCCCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55
HIF1A Q16665 1/20 0.55
TST Q16762 1/20 0.55

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
SCHEMBL14768837 0.88 HSD17B10 (0.48) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL24422612 0.84 KDM4E (0.51) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL28015391 0.84 HSD11B1 (0.54) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL11657350 0.83 HSD17B10 (0.71) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL11660215 0.83 HSD17B10 (0.71) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL11661972 0.83 HSD17B10 (0.71) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL11664281 0.83 HSD17B10 (0.71) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL14789198 0.83 RAB9A (0.46) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL14819235 0.83 HSD11B1 (0.54) HSD17B10ALDH1A1KDM4EESR1ADRA2A
SCHEMBL12622274 0.82 ALDH1A1 (0.65) HSD17B10ALDH1A1KDM4EESR1ADRA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689290-B2 Family of conducting liquid crystals THE UNIVERSITY OF LEEDS (GB) 2004-02-10 US claimed
US-20030160212-A1 New family of conducting liquid crystals UNIVERSITY OF LEEDS, THE (GB) 2003-08-28 US claimed
JP-2003516422-A 2003-05-13 JP claimed
EP-1240272-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 2002-09-18 EP claimed
WO-2001042391-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS UNIVERSITY OF LEEDS (GB) 2001-06-14 WO claimed
US-6689290-B2 Family of conducting liquid crystals THE UNIVERSITY OF LEEDS (GB) 2004-02-10 US disclosed
US-20030160212-A1 New family of conducting liquid crystals UNIVERSITY OF LEEDS, THE (GB) 2003-08-28 US disclosed
EP-1240272-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 2002-09-18 EP disclosed
WO-2001042391-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS UNIVERSITY OF LEEDS (GB) 2001-06-14 WO disclosed