SCHEMBL6741473

SCHEMBL6741473

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.46
PTGS2 P35354 4/20 0.46
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PLA2G2A P14555 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CES2 O00748 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL10415252 0.98 PTGS2 (0.44) SMPD1PTGS2MEN1NR1I2LMNA
SCHEMBL10415260 0.98 PTGS2 (0.44) SMPD1PTGS2MEN1NR1I2LMNA
SCHEMBL12199763 0.87 ALDH1A1 (0.55) SMPD1MEN1NR1I2LMNACHRM2
SCHEMBL8743865 0.84 ALOX5 (0.49) SMPD1MEN1NR1I2LMNACHRM2
SCHEMBL6741191 0.84 ALOX15 (0.52) SMPD1LMNAPPARGPPARA
SCHEMBL8974064 0.84 NR5A1 (0.45) SMPD1MEN1NR1I2LMNACHRM2
SCHEMBL12918761 0.84 NR5A1 (0.45) SMPD1MEN1NR1I2LMNACHRM2
SCHEMBL20678395 0.84 NR5A1 (0.45) SMPD1MEN1NR1I2LMNACHRM2
SCHEMBL202536 0.84 NR5A1 (0.45) SMPD1MEN1NR1I2LMNACHRM2
SCHEMBL6743869 0.84 NR5A1 (0.45) SMPD1MEN1NR1I2LMNACHRM2

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-7922947-B2 Method of producing dispersion FUJIFILM CORPORATION (JP) 2011-04-12 US disclosed
US-7359017-B2 Optical compensation film, polarizing plate, displaying apparatus, method for producing optical compensation film and method for producing polarizing plate KONICA MINOLTA OPTO, INC. (JP) 2008-04-15 US disclosed
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