SCHEMBL7609446

SCHEMBL7609446

CCC(NP(=O)(O)Cc1ccccc1)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.42
CXCR2 P25025 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 3/20 0.35
GSK3B P49841 1/20 0.35
MMP8 P22894 1/20 0.35
RIPK1 Q13546 1/20 0.35
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLK1 P53350 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPRC P08575 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL7606180 0.91 ACP3 (0.41) ACP3PPARGPPARAKDM4EGSK3B
SCHEMBL7606875 0.89 ACP3 (0.39) ACP3KDM4ELMNAHPGD
SCHEMBL7607484 0.84 ACP3 (0.45) ACP3CXCR2PPARGPPARAKDM4E
SCHEMBL7610662 0.82 ACP3 (0.40) ACP3PPARGPPARAKDM4EGSK3B
SCHEMBL7604497 0.81 GABRP (0.39) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL5054409 0.80 ACP3 (0.39) ACP3PPARGPPARAKDM4EGSK3B
SCHEMBL8423479 0.79 ACP3 (0.42) ACP3KDM4EGSK3BMMP8SSTR4
SCHEMBL7608427 0.79 PTPN1 (0.45) CXCR2PPARGKDM4ELMNA
SCHEMBL5051197 0.77 ACP3 (0.41) ACP3KDM4EGSK3BMMP8SSTR4
SCHEMBL8046097 0.75 ACP3 (0.39) ACP3PPARGPPARAKDM4EMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514160-A 2002-05-14 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
EP-0936914-A4 1999-08-25 EP claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
EP-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 EP disclosed
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
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO 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
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed