SCHEMBL766904

SCHEMBL766904

CCNCCCCCCCCCCCCCCP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.68
S1PR1 P21453 11/20 0.68
S1PR3 Q99500 11/20 0.68
S1PR4 O95977 9/20 0.68
S1PR5 Q9H228 2/20 0.68
LPAR3 Q9UBY5 3/20 0.58
LPAR2 Q9HBW0 3/20 0.58
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
SAT1 P21673 1/20 0.47
TYMS P04818 1/20 0.46
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 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
SCHEMBL767556 1.00 S1PR2 (0.68) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL767878 1.00 S1PR2 (0.68) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL767663 1.00 S1PR2 (0.68) S1PR2S1PR1S1PR3S1PR4S1PR5
Diethylamine SCHEMBL11311124 0.86 LPAR3 (0.62) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL2418672 0.85 S1PR2 (0.92) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL13239603 0.84 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL1479644 0.84
SCHEMBL21568887 0.81 LPAR3 (0.61) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL14210023 0.79 TYMS (0.58) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL5595569 0.78 S1PR2 (0.88) S1PR2S1PR1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511392-B2 Method for coating metal surfaces in a multi-step method CHEMETALL GMBH (DE) 2016-12-06 US disclosed
CN-102428211-B Method for coating metal surfaces in a multi-step method CHEMETALL GMBH 2014-11-05 CN disclosed
CN-102428211-A Method for coating metal surfaces in a multi-step method CHEMETALL GMBH 2012-04-25 CN disclosed
US-20120070674-A1 METHOD FOR COATING METAL SURFACES IN A MULTI-STEP METHOD CHEMETALL GMBH (DE) 2012-03-22 US disclosed