SCHEMBL8004701

SCHEMBL8004701

CCCCCCCCC=CCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
PLA2G10 O15496 1/20 0.51
PLA2G1B P04054 1/20 0.51
PLA2G5 P39877 1/20 0.51
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
LPAR1 Q92633 4/20 0.42
LPAR3 Q9UBY5 4/20 0.42
TLR2 O60603 2/20 0.42
LPAR2 Q9HBW0 1/20 0.40

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
SCHEMBL8004697 1.00 PLA2G2A (0.51) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL24207772 0.93 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL24207927 0.93 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL24208022 0.93 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL24208015 0.93 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL24208011 0.93 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL9137670 0.93 PLA2G2A (0.56) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL497520 0.93 PLA2G2A (0.56) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL8917115 0.93 PLA2G2A (0.56) PLA2G2APLA2G10PLA2G1BPLA2G5LPAR1
SCHEMBL3490896 0.92 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1

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