SCHEMBL10705252

SCHEMBL10705252

CCCCCCCC/C=C\CCCCCCCCC(N)CNCCN

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.43
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
PPARA Q07869 1/20 0.41
S1PR2 O95136 5/20 0.39
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 5/20 0.39
S1PR4 O95977 4/20 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
SCHEMBL10998568 0.90 PLA2G1B (0.46) S1PR2S1PR1S1PR3S1PR4
SCHEMBL7081815 0.90 PLA2G1B (0.46) S1PR2S1PR1S1PR3S1PR4
SCHEMBL10974610 0.90 PLA2G1B (0.46) S1PR2S1PR1S1PR3S1PR4
SCHEMBL17710335 0.88 CNR1 (0.44) FAAHTRPV1
SCHEMBL8435126 0.82 TDP1 (0.43)
SCHEMBL7206054 0.81 GNAI3 (0.51)
SCHEMBL7208317 0.81 GNAI3 (0.51)
SCHEMBL4788832 0.81 S1PR2 (0.49) SLC6A5FAAHTRPV1S1PR2S1PR1
SCHEMBL7929385 0.81 S1PR2 (0.49) SLC6A5FAAHTRPV1S1PR2S1PR1
SCHEMBL165367 0.81 S1PR2 (0.49) SLC6A5FAAHTRPV1S1PR2S1PR1

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-0133375-B1 COMPRESSION IGNITION FUELS, COMPOSITIONS AND ADDITIVE PACKAGES FOR THE PRODUCTION THEREOF AND THE USE THEREOF ETHYL CORPORATION (US) 1988-05-25 EP disclosed