SCHEMBL6741248

SCHEMBL6741248

CCCCCCOc1cc2c3cc(OCCCCCC)c(OCCCCCC)cc3c3cc(OC(=O)c4cccc5ccccc45)c(OCCCCCC)cc3c2cc1OCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.63
CNR1 P21554 7/20 0.63
CYP2C9 P11712 1/20 0.61
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.46

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
SCHEMBL12732262 0.81 PTPN11 (0.50) KMT2APOLBLMNACYP3A4MEN1
SCHEMBL27493012 0.81 CNR2 (0.75) CNR2CNR1CYP2C9KMT2APOLB
SCHEMBL249414 0.81 CNR2 (0.72) CNR2CNR1CYP2C9KMT2APOLB
SCHEMBL6738917 0.81 CNR1 (0.48) CNR2CNR1CYP2C9KMT2ALMNA
SCHEMBL30295637 0.80 ALDH1A1 (0.74) CNR2CNR1CYP2C9POLBLMNA
SCHEMBL9288049 0.80 ALDH1A1 (0.74) CNR2CNR1CYP2C9POLBLMNA
SCHEMBL4407176 0.80 ALDH1A1 (0.74) CNR2CNR1CYP2C9POLBLMNA
SCHEMBL20100237 0.80 ALDH1A1 (0.74) CNR2CNR1CYP2C9POLBLMNA
SCHEMBL27721668 0.80 ALDH1A1 (0.74) CNR2CNR1CYP2C9POLBLMNA
SCHEMBL27729056 0.80 ALDH1A1 (0.74) CNR2CNR1CYP2C9POLBLMNA

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