SCHEMBL8226822

SCHEMBL8226822

CCCCC(N)CCCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
S1PR2 O95136 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 4/20 0.45
LMNA P02545 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
LAP3 P28838 1/20 0.37
SLC15A1 P46059 1/20 0.36
DNM1 Q05193 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
SCHEMBL21161890 0.97 PLA2G1B (0.54) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL18298232 0.92 PLA2G1B (0.59) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL21161889 0.92 PLA2G1B (0.59) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL28977213 0.92 PLA2G1B (0.59) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL28446507 0.92 PLA2G1B (0.59) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL15319803 0.92 PLA2G1B (0.59) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL16371002 0.92 PLA2G1B (0.59) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL15054363 0.92 PLA2G1B (0.59) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL24403199 0.90 OPRM1 (0.46) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL7058526 0.90 OPRM1 (0.46) OPRM1PLA2G1BPLA2G2AS1PR2S1PR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed