SCHEMBL7759910

SCHEMBL7759910

CCCC(C)C(N)N.CCCCCC(N)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
SPHK1 Q9NYA1 2/20 0.43
TP53 P04637 2/20 0.42
LAP3 P28838 2/20 0.38
METAP1 P53582 1/20 0.38
S1PR2 O95136 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR4 O95977 4/20 0.37
DNM1 Q05193 2/20 0.37
CYP2D6 P10635 2/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL632815 0.83 OPRM1 (0.59) OPRM1SPHK1TP53LAP3S1PR2
SCHEMBL6746798 0.83 OPRM1 (0.59) OPRM1SPHK1TP53LAP3S1PR2
SCHEMBL29138384 0.83 OPRM1 (0.59) OPRM1SPHK1TP53LAP3S1PR2
Hexane SCHEMBL16244743 0.83 OPRM1 (0.63) OPRM1SPHK1TP53LAP3DNM1
SCHEMBL29533 0.83
SCHEMBL296336 0.83
SCHEMBL27976138 0.83 OPRM1 (0.63) OPRM1SPHK1TP53LAP3DNM1
SCHEMBL27856402 0.80 TRPV1 (0.40) OPRM1SPHK1
SCHEMBL6559213 0.80 OPRM1 (0.55) OPRM1SPHK1TP53LAP3S1PR2
SCHEMBL20603561 0.80 OPRM1 (0.60) OPRM1SPHK1TP53LAP3DNM1

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
US-5512401-A MIXED WITH PIGMENT; ELECTROGRAPHY; LOW MELTING; RESOLUTION; RAPID JETTING RATES; LOW MELT FUSING; BROAD FUSING LATITUDE; DEINKING AT PH OF 8-11 XEROX CORPORATION (US) 1996-04-30 US claimed
US-5411829-A From cyclohexene dianhydrides, deinkable XEROX CORPORATION (US) 1995-05-02 US claimed
US-5348830-A Poliymide toner and developer compositions XEROX CORPORATION (US) 1994-09-20 US claimed
EP-0666508-B1 Crosslinked polyesterimide toner compositions XEROX CORP (US) 2001-04-04 EP disclosed
EP-0666508-A1 Crosslinked polyesterimide toner compositions XEROX CORPORATION (US) 1995-08-09 EP disclosed