SCHEMBL18117462

SCHEMBL18117462

CCCCCN(C)CCCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ S1PR5 Q9H228 1/20 0.48
▸ GGPS1 O95749 4/20 0.44
▸ FDPS P14324 1/20 0.44
▸ AGTR1 P30556 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ KDM5A P29375 5/20 0.42
▸ KDM4C Q9H3R0 3/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ PHF8 Q9UPP1 1/20 0.41
▸ FAAH O00519 2/20 0.40
▸ DNM1 Q05193 2/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL23001183 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL28485251 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL31267553 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL23001134 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL16608971 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL15870622 0.96 S1PR2 (0.48) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL16330497 0.96 S1PR2 (0.44) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL16311730 0.94 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL13155350 0.94 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL17453161 0.94 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1

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
EP-2609639-B1 USE OF ZWITTERIONIC MOLECULES FOR FORMING A HOLE OR ELECTRON TRANSPORT LAYER CENTRE NAT RECH SCIENT (FR) 2016-10-05 — — EP disclosed
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