SCHEMBL11435289

SCHEMBL11435289

CONCCCP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.48
S1PR1 P21453 8/20 0.48
S1PR3 Q99500 8/20 0.48
S1PR4 O95977 7/20 0.48
S1PR5 Q9H228 1/20 0.48
TYMS P04818 1/20 0.48
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 1/20 0.43
BBOX1 O75936 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 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
SCHEMBL388416 0.78
SCHEMBL17758575 0.74 EPHX1 (0.53) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL17758550 0.72 S1PR2 (0.44) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL14210023 0.70 TYMS (0.58) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL4427913 0.70
SCHEMBL16406317 0.70
SCHEMBL388415 0.69
SCHEMBL21568887 0.69 LPAR3 (0.61) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL8933383 0.69 TYMS (0.55) S1PR2S1PR1S1PR3S1PR4S1PR5
SCHEMBL7880658 0.69 TYMS (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4206156-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-06-03 US disclosed
US-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 US disclosed