SCHEMBL5892306

SCHEMBL5892306

CCCCCCOc1ccc2c3ccccc3c3c(OCCCCCC)c(OCCCCCC)c(OCCCCCC)c(OCCCCCC)c3c2c1OCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 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
SCHEMBL1119037 1.00 CYP2C9 (0.45) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL6556268 1.00 CYP2C9 (0.45) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL276217 0.98 CYP2C9 (0.46) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL6292140 0.95 CYP2C9 (0.49) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL9394786 0.95 CYP2C9 (0.41) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL8543040 0.93 CNR2 (0.42) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL8974552 0.93 CYP2C9 (0.42) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL9394788 0.92 CYP2C9 (0.39) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL8974560 0.91 CYP2C9 (0.40) CYP2C9CYP1A2CYP2C19CNR1CNR2
SCHEMBL7596365 0.90 CYP2C9 (0.42) CYP2C9CYP1A2CYP2C19CNR1CNR2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016193748-A1 COMPOSITION THE UNIVERSITY OF BIRMINGHAM (GB) 2016-12-08 WO 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
US-6423272-B1 Fluid sensing device using discotic liquid crystals THE UNIVERSITY OF LEEDS (GB) 2002-07-23 US claimed
WO-2001042391-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS UNIVERSITY OF LEEDS (GB) 2001-06-14 WO claimed
EP-0827635-A1 ELECTRONIC DEVICES BASED ON DISCOTIC LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 1998-03-11 EP claimed
WO-1996036082-A1 ELECTRONIC DEVICES BASED ON DISCOTIC LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 1996-11-14 WO claimed
EP-0364185-B1 Conducting liquid crystals BRITISH TECH GROUP (GB) 1993-12-15 EP claimed
EP-0364185-A2 Conducting liquid crystals BTG INTERNATIONAL LIMITED (GB) 1990-04-18 EP claimed
US-7015638-B2 Organic electroluminescent device and display apparatus CANON KABUSHIKI KAISHA (JP) 2006-03-21 US disclosed
US-6870583-B2 Conductive liquid crystal device and organic electroluminescence device CANON KABUSHIKI KAISHA (JP) 2005-03-22 US disclosed
US-6858271-B1 Conductive organic compound device, conductive liquid crystal device, and organic electroluminescence device CANON KABUSHIKI KAISHA (JP) 2005-02-22 US disclosed
US-20050023971-A1 Organic electroluminescent device and display apparatus CANON KABUSHIKI KAISHA (JP) 2005-02-03 US disclosed
EP-0834752-B1 LIQUID-CRYSTALLINE OPTICAL FILM AND ITS UTILIZATION NIPPON MITSUBISHI OIL CORP (JP) 2004-12-29 EP disclosed
WO-1997032202-A1 SENSING DEVICE THE UNIVERSITY OF LEEDS (GB) 1997-09-04 WO disclosed
EP-0751925-A1 ELECTROPHILIC SUBSTITUTION OF TRIPHENYLENE-BASED DISCOTIC LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 1997-01-08 EP disclosed
WO-1996036082-A1 ELECTRONIC DEVICES BASED ON DISCOTIC LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 1996-11-14 WO disclosed
EP-0703885-A1 SYNTHESIS OF SUBSTITUTED TRIPHENYLENES, USEFUL AS DISCOTIC LIQUID CRYSTALS BRITISH TECHNOLOGY GROUP LTD (GB) 1996-04-03 EP disclosed
WO-1995025710-A1 ELECTROPHILIC SUBSTITUTION OF TRIPHENYLENE-BASED DISCOTIC LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 1995-09-28 WO disclosed
WO-1994029243-A1 SYNTHESIS OF SUBSTITUTED TRIPHENYLENES, USEFUL AS DISCOTIC LIQUID CRYSTALS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-12-22 WO disclosed