SCHEMBL6737580

SCHEMBL6737580

CCCCCCOc1ccc(-c2nc3c4nc(-c5ccc(OCCCCCC)c(OCCCCCC)c5)c(-c5ccc(OCCCCCC)c(OCCCCCC)c5)nc4c4nc(-c5ccc(OCCCCCC)c(OCCCCCC)c5)c(-c5ccc(OCCCCCC)c(OCCCCCC)c5)nc4c3nc2-c2ccc(OCCCCCC)c(OCCCCCC)c2)cc1OCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.44
MCHR1 Q99705 2/20 0.43
TLR8 Q9NR97 2/20 0.43
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
SMPD1 P17405 3/20 0.41
ESR1 P03372 2/20 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
SCHEMBL892160 0.90 PTPN11 (0.42) PTPN11MCHR1TLR8PTPN1PTPN6
SCHEMBL1776071 0.85 PTPN11 (0.55) PTPN11PTPN1PTPN6SMPD1ESR1
SCHEMBL28319408 0.85 PTPN11 (0.55) PTPN11PTPN1PTPN6SMPD1ESR1
SCHEMBL13957128 0.85 PTPN11 (0.55) PTPN11PTPN1PTPN6SMPD1ESR1
SCHEMBL2856448 0.85 PTPN11 (0.55) PTPN11PTPN1PTPN6SMPD1ESR1
SCHEMBL7620596 0.84 PTPN11 (0.49) PTPN11TLR8PTPN1PTPN6SMPD1
SCHEMBL17465202 0.84 S1PR1 (0.45) PTPN11PTPN1PTPN6SMPD1ESR1
SCHEMBL16266504 0.82 PTPN11 (0.43) PTPN11TLR8PTPN1PTPN6SMPD1
SCHEMBL8974024 0.78 PTPN11 (0.57) PTPN11TLR8PTPN1PTPN6
SCHEMBL8975125 0.77 THRA (0.53) PTPN11PTPN1PTPN6SMPD1

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 6 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
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