SCHEMBL5582946

SCHEMBL5582946

CCCCCCCCCCCC1COCCN1P(=O)(O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR5 Q9H228 5/20 0.40
PKM P14618 1/20 0.39
S1PR4 O95977 3/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
S1PR2 O95136 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL10677629 0.74 ALDH1A1 (0.42) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL27343773 0.70 PKM (0.41) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL20298901 0.69 ALDH1A1 (0.41) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL10682534 0.69 ALDH1A1 (0.41) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL30518734 0.69 HTT (0.40) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL20298897 0.68 S1PR1 (0.41) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL22026830 0.68 S1PR1 (0.41) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL824956 0.68 S1PR1 (0.41) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL824959 0.68 S1PR1 (0.41) HTTMEN1KMT2AS1PR1S1PR3
SCHEMBL3363603 0.67 PKM (0.38) HTTMEN1KMT2AS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740189-B1 LUNG SURFACTANT SUPPLEMENTS CENTRE NAT RECH SCIENT (FR) 2012-06-13 EP disclosed
EP-1740189-A1 LUNG SURFACTANT SUPPLEMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-01-10 EP disclosed
WO-2005099718-A1 LUNG SURFACTANT SUPPLEMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2005-10-27 WO disclosed