SCHEMBL8005239

SCHEMBL8005239

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=O)NCCN1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8005236 1.00 EPHX2 (0.45) EPHX2LPAR1LPAR3GNAI3GNAO1
SCHEMBL8016339 0.93 EPHX2 (0.46) EPHX2LPAR1LPAR3GNAI3GNAO1
SCHEMBL8016340 0.93 EPHX2 (0.46) EPHX2LPAR1LPAR3GNAI3GNAO1
SCHEMBL8017597 0.92 KDM4E (0.46) EPHX2LPAR1LPAR3ALDH1A1
SCHEMBL8017595 0.92 KDM4E (0.46) EPHX2LPAR1LPAR3ALDH1A1
SCHEMBL8014159 0.90 TLR2 (0.47) EPHX2
SCHEMBL8014160 0.90 TLR2 (0.47) EPHX2
SCHEMBL8015740 0.88 EPHX2 (0.47) EPHX2LPAR1LPAR3
SCHEMBL8015742 0.88 EPHX2 (0.47) EPHX2LPAR1LPAR3
SCHEMBL8004914 0.83 ALDH1A1 (0.50) LPAR1LPAR3ALDH1A1

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 5 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
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