SCHEMBL8004843

SCHEMBL8004843

CCCCCCCC/C=C\CCCCCCCCOCC(CNC(=O)CCCN(CCO)CCO)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 9/20 0.59
LPAR1 Q92633 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
CNR1 P21554 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8014286 0.92 TLR2 (0.61) TLR2LPAR1
SCHEMBL8015753 0.89 TLR2 (0.63) TLR2LPAR1
SCHEMBL8146554 0.86 TLR2 (0.48) TLR2CNR1ALDH1A1CNR2
SCHEMBL8017844 0.86 TLR2 (0.48) TLR2CNR1ALDH1A1CNR2
SCHEMBL8160352 0.84 TLR2 (0.47) TLR2CNR1ALDH1A1CNR2
SCHEMBL8017902 0.83 CNR1 (0.54) LPAR1CNR1CNR2BLMTDP1
SCHEMBL8017903 0.83 CNR1 (0.54) LPAR1CNR1CNR2BLMTDP1
SCHEMBL8014026 0.82 TLR2 (0.47) TLR2
SCHEMBL8160318 0.82 TLR2 (0.47) TLR2
SCHEMBL8005259 0.82 TLR2 (0.43) TLR2LPAR1CNR1ALDH1A1CNR2

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-0685234-B1 DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER NIPPON SHINYAKU CO LTD (JP) 2000-05-10 EP disclosed
US-6020317-A Glycerol derivative, device and pharmaceutical composition NIPPON SHINYAKU CO. LTD. (JP) 2000-02-01 US disclosed
EP-0685457-A1 GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-12-06 EP disclosed
EP-0685234-A1 DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-12-06 EP disclosed