SCHEMBL8004637

SCHEMBL8004637

CCCCCCCC/C=C\CCCCCCCCOCCC(NC(=O)CCCN1CCCC1)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.40
THRB P10828 3/20 0.39
THRA P10827 2/20 0.39
SLC6A5 Q9Y345 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
CNR2 P34972 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
FAAH O00519 3/20 0.38
ASAH2 Q9NR71 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNK3 O14649 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8004646 1.00 DEGS1 (0.40) DEGS1THRBTHRASLC6A5LPAR3
SCHEMBL8004466 0.81 DEGS1 (0.43) DEGS1THRBSLC6A5LPAR3CNR2
SCHEMBL8004471 0.81 DEGS1 (0.43) DEGS1THRBSLC6A5LPAR3CNR2
SCHEMBL8016952 0.81 DEGS1 (0.42) DEGS1THRBSLC6A5LPAR3CNR2
SCHEMBL8016945 0.81 DEGS1 (0.42) DEGS1THRBSLC6A5LPAR3CNR2
SCHEMBL8004640 0.80 PRKCA (0.44) DEGS1THRBSLC6A5LPAR3ALDH1A1
SCHEMBL8014292 0.80 TLR2 (0.58)
SCHEMBL8020696 0.79 TRPV1 (0.44) DEGS1THRBCNR2TRPV1KCNK3
SCHEMBL8020705 0.79 TRPV1 (0.44) DEGS1THRBCNR2TRPV1KCNK3
SCHEMBL14886901 0.76 SLC6A5 (0.49) THRBSLC6A5CNR2SMN1; SMN2KCNK3

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 5 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
US-5705188-A LIPID MIXTURE, ANTITUMOR AGENTS NIPPON SHINYAKU COMPANY, LTD. (JP) 1998-01-06 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