SCHEMBL9018376

SCHEMBL9018376

C=CCNCCP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.38
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANPEP P15144 1/20 0.32
MAPT P10636 1/20 0.32

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
Phosphoric Acid SCHEMBL3015655 0.85 SMN1; SMN2 (0.34) ALDH1A1TSHRSMN1; SMN2MAPT
Phosphoric Acid SCHEMBL3014553 0.81 PAOX (0.39) S1PR2S1PR4S1PR1S1PR3S1PR5
Phosphoric Acid SCHEMBL29789433 0.81 TSHR (0.37) S1PR2S1PR4S1PR1S1PR3ALDH1A1
Phosphoric Acid SCHEMBL3012810 0.81 TSHR (0.37) S1PR2S1PR4S1PR1S1PR3ALDH1A1
Phosphoric Acid SCHEMBL5167421 0.79 TSHR (0.37) ALDH1A1TSHRSMN1; SMN2MAPTLMNA
Phosphoric Acid SCHEMBL3008673 0.79 S1PR2 (0.39) S1PR2S1PR4S1PR1S1PR3S1PR5
Phosphoric Acid SCHEMBL3123373 0.79 S1PR2 (0.39) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL6567851 0.78
SCHEMBL4966489 0.76 TYMS (0.53) TYMSS1PR2S1PR4S1PR1S1PR3
Methyl Phosphonate SCHEMBL28215606 0.75 CA2 (0.42) ALDH1A1TSHRSMN1; SMN2MAPT

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
JP-8119828-A None JP disclosed
JP-H08119828-A COSMETIC KANEBO LTD 1996-05-14 JP disclosed