SCHEMBL8004638

SCHEMBL8004638

CCCCCCCCCCCCCCOCC(COCCCCCCCCCCCC)OC(=O)NCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
TLR2 O60603 2/20 0.43
ACHE P22303 6/20 0.43
PLA2G2C Q5R387 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42
EPHX1 P07099 1/20 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
SCHEMBL8017594 1.00 DNM1 (0.50) DNM1TLR2ACHEPLA2G2CSPHK1
SCHEMBL8016702 1.00 DNM1 (0.50) DNM1TLR2ACHEPLA2G2CSPHK1
SCHEMBL8014333 1.00 DNM1 (0.50) DNM1TLR2ACHEPLA2G2CSPHK1
SCHEMBL8016300 0.93 EPHX2 (0.48) DNM1
SCHEMBL8005186 0.93 EPHX2 (0.48) DNM1
SCHEMBL8005191 0.93 EPHX2 (0.48) DNM1
SCHEMBL8016299 0.93 EPHX2 (0.48) DNM1
SCHEMBL8016369 0.89 ALDH1A1 (0.46)
SCHEMBL8017711 0.89 ALDH1A1 (0.46)
SCHEMBL8013997 0.86 EPHX2 (0.48) DNM1

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
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-B1 GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 1999-12-15 EP 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