SCHEMBL6444090

SCHEMBL6444090

CCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.67
S1PR2 O95136 1/20 0.60
S1PR1 P21453 1/20 0.60
S1PR3 Q99500 1/20 0.60
S1PR5 Q9H228 1/20 0.60
CHRM2 P08172 1/20 0.55
TSHR P16473 2/20 0.53
THRB P10828 1/20 0.53
GGPS1 O95749 4/20 0.50
KDM5A P29375 3/20 0.48
KDM4C Q9H3R0 2/20 0.48
PHF8 Q9UPP1 1/20 0.48
FDPS P14324 1/20 0.48
AGTR1 P30556 1/20 0.48
OPRM1 P35372 1/20 0.48
PDE3A Q14432 1/20 0.48
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1276650 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9493560 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL20746523 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL23502354 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL408903 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL25463105 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL10677607 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL24103978 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL20746425 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL10410678 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989096-B1 Liquor oxalate stabilizers NALCO CHEMICAL CO (US) 2005-05-04 EP claimed
EP-0401503-B1 Solid non-hygroscopic trialkylamine oxides ALBEMARLE CORP (US) 1996-01-17 EP claimed