SCHEMBL7597620

SCHEMBL7597620

C=CCCCCCCCCCOc1ccc(C(C=O)=CNCCN=Cc2cc(OCCCCCCCC)ccc2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
PLA2G4B P0C869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 1/20 0.35
SLC2A1 P11166 2/20 0.35
CNR2 P34972 3/20 0.35
PTPN1 P18031 1/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7598392 0.91 ALDH1A1 (0.35) ALDH1A1L3MBTL1CA2NPC1GAA
SCHEMBL7599960 0.78 CA2 (0.44) ALDH1A1L3MBTL1CA2GAAMAPT
SCHEMBL7600446 0.78 CA2 (0.44) ALDH1A1L3MBTL1CA2GAAMAPT
SCHEMBL7599962 0.78 CA2 (0.44) ALDH1A1L3MBTL1CA2GAAMAPT
SCHEMBL7600443 0.78 CA2 (0.44) ALDH1A1L3MBTL1CA2GAAMAPT
SCHEMBL7597760 0.73 MEN1 (0.47) CA2NPC1RAB9A
SCHEMBL7561060 0.73 NR5A1 (0.51) TP53TSHRPLA2G4BCNR2NPC1
SCHEMBL7561057 0.73 NR5A1 (0.51) TP53TSHRPLA2G4BCNR2NPC1
SCHEMBL7600418 0.70 ERN1 (0.50) ALDH1A1L3MBTL1
SCHEMBL7598088 0.70 ERN1 (0.50) ALDH1A1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927155-B1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS QINETIQ LTD (GB) 2002-11-20 EP disclosed
US-6184322-B1 USED IN DISPLAY TECHNOLOGY, THIN FILM MAGNETIC MATERIALS FOR USE IN DATA STORAGE, LUBRICANTS AND ANISOTROPICALLY SUPPORTED CATALYSTS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-06 US disclosed
EP-0927155-A1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-07 EP disclosed
WO-1997049671-A1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-12-31 WO disclosed