SCHEMBL7609537

SCHEMBL7609537

CC(C(=O)O)c1cccc(P(=O)(O)Cc2cccc3[nH]ccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
MAPT P10636 3/20 0.37
PTGS1 P23219 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CXCL8 P10145 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL8057418 0.82 PTGS1 (0.45) PTGS2MAPTPTGS1KDM4ECXCR1
SCHEMBL5051189 0.73 HPGDS (0.39) MAPTKDM4ESMN1; SMN2RECQLLMNA
SCHEMBL5053375 0.72 HPGDS (0.43) MAPTKDM4ESMN1; SMN2RECQLLMNA
SCHEMBL5054362 0.72 HPGDS (0.38) MAPTKDM4ESMN1; SMN2RECQLLMNA
SCHEMBL7605667 0.69 ECE1 (0.46) MAPTKDM4ESMN1; SMN2RECQLALDH1A1
SCHEMBL5053021 0.68 MMP2 (0.35) MAPTKDM4ERECQLPOLBAPAF1
SCHEMBL5054264 0.67 KDM4E (0.42) MAPTKDM4ESMN1; SMN2RECQLALDH1A1
SCHEMBL29966571 0.67 PTGS2 (0.42) PTGS2MAPTKDM4ERECQLCXCL8
SCHEMBL6099297 0.67 PTGS2 (0.42) PTGS2MAPTKDM4ERECQLCXCL8
SCHEMBL15559426 0.67 SMN1; SMN2 (0.47) MAPTKDM4ESMN1; SMN2RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
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 claimed
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 claimed