SCHEMBL6741191

SCHEMBL6741191

CCCCCCOc1cc2c3cc(OCCCCCC)c(OCCCCCC)cc3c3cc(OC(=O)CCCCC)c(OCCCCCC)cc3c2cc1OCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
TOP2A P11388 2/20 0.50
PPARG P37231 3/20 0.49
PPARA Q07869 2/20 0.49
POLM Q9NP87 1/20 0.49
POLK Q9UBT6 1/20 0.49
POLL Q9UGP5 1/20 0.49
POLH Q9Y253 1/20 0.49
CNR2 P34972 3/20 0.47
CNR1 P21554 2/20 0.47
DGKA P23743 1/20 0.47
LMNA P02545 2/20 0.45
SMPD1 P17405 3/20 0.44

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
SCHEMBL12732255 0.97 ALOX15 (0.52) ALOX15TOP2APPARGPPARAPOLM
SCHEMBL19999162 0.92 ALOX15 (0.59) ALOX15TOP2APOLMPOLKPOLL
SCHEMBL12363878 0.86 DGKA (0.54) TOP2APPARGPPARACNR2CNR1
SCHEMBL6741473 0.84 SMPD1 (0.46) PPARGPPARALMNASMPD1
SCHEMBL2859507 0.84 GPR84 (0.57) ALOX15PPARGPPARA
SCHEMBL10415252 0.82 PTGS2 (0.44) PPARGPPARALMNASMPD1
SCHEMBL10415260 0.82 PTGS2 (0.44) PPARGPPARALMNASMPD1
SCHEMBL202536 0.81 NR5A1 (0.45) LMNASMPD1
SCHEMBL8974623 0.81 NR5A1 (0.45) LMNASMPD1
SCHEMBL8974064 0.81 NR5A1 (0.45) LMNASMPD1

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