SCHEMBL8160359

SCHEMBL8160359

CCCCCCCCC=CCCCCCCCCOCC(CNC(=S)OCCN(CCO)CCO)OCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 11/20 0.43
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR3 Q9UBY5 2/20 0.42

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
SCHEMBL8005259 1.00 TLR2 (0.43) TLR2ALDH1A1CNR1CNR2LPAR1
SCHEMBL8013675 0.92 TLR2 (0.45) TLR2ALDH1A1CNR1CNR2LPAR1
SCHEMBL8013682 0.92 TLR2 (0.45) TLR2ALDH1A1CNR1CNR2LPAR1
SCHEMBL8021294 0.89 TLR2 (0.46) TLR2ALDH1A1CNR1CNR2LPAR1
SCHEMBL8021286 0.89 TLR2 (0.46) TLR2ALDH1A1CNR1CNR2LPAR1
SCHEMBL8146554 0.88 TLR2 (0.48) TLR2ALDH1A1CNR1CNR2
SCHEMBL8017844 0.88 TLR2 (0.48) TLR2ALDH1A1CNR1CNR2
SCHEMBL8012901 0.86 CNR1 (0.42) TLR2ALDH1A1CNR1CNR2LPAR1
SCHEMBL8012893 0.86 CNR1 (0.42) TLR2ALDH1A1CNR1CNR2LPAR1
SCHEMBL8014026 0.84 TLR2 (0.47) TLR2

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 2 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
EP-0685234-A1 DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-12-06 EP disclosed