SCHEMBL8020834

SCHEMBL8020834

CC/C=C\C/C=C\C/C=C\CCCCCCCCOCC(COCCCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)NCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
EPHX2 P34913 1/20 0.40
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
MAPT P10636 2/20 0.39
OXER1 Q8TDS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
FFAR1 O14842 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARG P37231 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8016369 0.94 ALDH1A1 (0.46) ALDH1A1EPHX2
SCHEMBL8017711 0.94 ALDH1A1 (0.46) ALDH1A1EPHX2
SCHEMBL8016300 0.91 EPHX2 (0.48) EPHX2
SCHEMBL8016299 0.91 EPHX2 (0.48) EPHX2
SCHEMBL8005186 0.91 EPHX2 (0.48) EPHX2
SCHEMBL8005191 0.91 EPHX2 (0.48) EPHX2
SCHEMBL8014283 0.91 PRKCE (0.48) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL8015732 0.88 CNR1 (0.41) ALDH1A1EPHX2
SCHEMBL8021324 0.87 ALDH1A1 (0.49) ALDH1A1EPHX2MAPTHPGD
SCHEMBL8013997 0.85 EPHX2 (0.48) EPHX2

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