SCHEMBL8014199

SCHEMBL8014199

CCCCCCCC/C=C\CCCCCCCCOCC(COC(=O)NCCN1CCOCC1)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.47
EPHX2 P34913 2/20 0.45
TSHR P16473 1/20 0.40
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8014201 1.00 TLR2 (0.47) TLR2EPHX2TSHRTHRBTHRA
SCHEMBL8018043 0.91 EPHX2 (0.47) TLR2EPHX2
SCHEMBL8018045 0.91 EPHX2 (0.47) TLR2EPHX2
SCHEMBL8015740 0.90 EPHX2 (0.47) TLR2EPHX2
SCHEMBL8015742 0.90 EPHX2 (0.47) TLR2EPHX2
SCHEMBL8004578 0.90 EPHX2 (0.47) TLR2EPHX2
SCHEMBL8004582 0.90 EPHX2 (0.47) TLR2EPHX2
SCHEMBL8014160 0.88 TLR2 (0.47) TLR2EPHX2TSHRTHRBTHRA
SCHEMBL8014159 0.88 TLR2 (0.47) TLR2EPHX2TSHRTHRBTHRA
SCHEMBL8020545 0.88 TLR2 (0.46) TLR2EPHX2THRBTHRA

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