SCHEMBL8048480

SCHEMBL8048480

CC(c1ccncc1)P(=O)(O)NC(CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
MAPK1 P28482 2/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL5051329 0.84 ITGB3 (0.44) L3MBTL1GRM8GRM4KCNA5
SCHEMBL5053270 0.78 ALOX5 (0.38) HPGDHDAC1
SCHEMBL5058020 0.74 MMP13 (0.38) HPGDLMNAALDH1A1HDAC1HDAC6
SCHEMBL5054774 0.72 ITGB3 (0.45) LMNAALDH1A1L3MBTL1GRM8GRM4
SCHEMBL7611344 0.71 MMP12 (0.43) LMNAALDH1A1GRM8GRM4HDAC2
SCHEMBL1677568 0.71 FFAR1 (0.54) ALDH1A1L3MBTL1KCNA5MMP12MMP13
SCHEMBL9789602 0.70 HPGD (0.49) HPGDLMNAMAOAMAOBPTGS2
SCHEMBL7616499 0.70 ALOX5 (0.43) HPGDLMNAALDH1A1L3MBTL1MAPK1
SCHEMBL5060416 0.68 MGAM (0.45) ALDH1A1L3MBTL1MAPK1HDAC3HDAC1
SCHEMBL5058007 0.66 ALOX5 (0.34) HPGDLMNAHDAC1

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
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed