SCHEMBL8082830

SCHEMBL8082830

CCCCC(N)CCCCC(N)CC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
S1PR2 O95136 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
TP53 P04637 1/20 0.38
LAP3 P28838 1/20 0.38
DNM1 Q05193 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
SCHEMBL28544282 0.94 ALDH1A1 (0.44) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL266196 0.94
SCHEMBL3819219 0.94
SCHEMBL2850854 0.94
SCHEMBL3835215 0.92 PLA2G1B (0.56) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8075454 0.92 OPRM1 (0.52) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL6691938 0.92 PLA2G1B (0.56) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL9296445 0.92 PLA2G1B (0.56) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL10425369 0.92 PLA2G1B (0.56) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28900689 0.92 PLA2G1B (0.56) OPRM1S1PR2S1PR1S1PR3S1PR4

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-0519406-B1 Magnetic recording media using perfluoropolyether derivatives as lubricants SONY CORP (JP) 2000-10-25 EP claimed
EP-0519406-B1 Magnetic recording media using perfluoropolyether derivatives as lubricants SONY CORP (JP) 2000-10-25 EP disclosed
US-5536425-A DURABILITY SONY CORPORATION (JP) 1996-07-16 US disclosed
US-5453539-A Durability SONY CORPORATION (JP) 1995-09-26 US disclosed
EP-0519406-A2 Novel perfluoropolyether derivatives, and lubricants and magnetic recording medium using the same SONY CORPORATION (JP) 1992-12-23 EP disclosed