SCHEMBL8014159

SCHEMBL8014159

CCCCCCCC/C=C\CCCCCCCCOCC(COCCCCCCCC/C=C\CCCCCCCC)OC(=O)NCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.47
EPHX2 P34913 3/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
THRB P10828 3/20 0.41
MMP3 P08254 3/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
THRA P10827 1/20 0.40
CNR2 P34972 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
SCHEMBL8014160 1.00 TLR2 (0.47) TLR2EPHX2TSHRTDP1THRB
SCHEMBL8016339 0.91 EPHX2 (0.46) EPHX2
SCHEMBL8016340 0.91 EPHX2 (0.46) EPHX2
SCHEMBL8005239 0.90 EPHX2 (0.45) EPHX2
SCHEMBL8005236 0.90 EPHX2 (0.45) EPHX2
SCHEMBL8017597 0.90 KDM4E (0.46) EPHX2
SCHEMBL8017595 0.90 KDM4E (0.46) EPHX2
SCHEMBL8014199 0.88 TLR2 (0.47) TLR2EPHX2TSHRTDP1THRB
SCHEMBL8014201 0.88 TLR2 (0.47) TLR2EPHX2TSHRTDP1THRB
SCHEMBL8016391 0.87 TLR2 (0.63) TLR2TDP1

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