SCHEMBL5178262

SCHEMBL5178262

C=CC(=O)NC(C)(CC)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34

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
SCHEMBL2125449 0.79 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Phosphoric Acid SCHEMBL22773414 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL16991749 0.78 TSHR (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2560193 0.75 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL460924 0.74 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4909167 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Phosphoric Acid SCHEMBL8363451 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1907643 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Phosphoric Acid SCHEMBL22773434 0.73 MEN1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20671425 0.73 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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
EP-1208974-B1 Processless lithographic printing plate AGFA GRAPHICS NV (BE) 2007-06-13 EP disclosed
US-6790595-B2 BASE WITH A HYDROPHILIC SURFACE, AN OLEOPHILIC IMAGING LAYER AND A CROSS-LINKED HYDROPHILIC UPPER LAYER OF SULFONIC ACID, SULFURIC ACID, PHOSPHORIC ACID OR PHOSPHONIC ACID DERIVATIVES AGFA-GEVAERT (BE) 2004-09-14 US disclosed
US-20020068239-A1 Processless lithographic printing plate AGFA-GEVAERT (BE) 2002-06-06 US disclosed
EP-1208974-A2 Processless lithographic printing plate Agfa-Gevaert (BE) 2002-05-29 EP disclosed