SCHEMBL8046809

SCHEMBL8046809

CCCC(c1cccc2ccccc12)P(=O)(O)Oc1ccccc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ACP3 P15309 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
CXCL8 P10145 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL7744718 0.91 TDP1 (0.47) TDP1ACP3L3MBTL1CXCL8KDM4E
SCHEMBL8058479 0.84 TDP1 (0.49) TDP1ACP3L3MBTL1CXCL8KDM4E
SCHEMBL8057233 0.81 PPARG (0.41) CXCL8
SCHEMBL8058574 0.79 TDP1 (0.45) TDP1ACP3KDM4EHPGD
SCHEMBL5052947 0.75 ACP3 (0.44) ACP3HPGD
SCHEMBL5054428 0.75 ACP3 (0.46) ACP3ALDH1A1
SCHEMBL7746878 0.74 CXCL8 (0.40) TDP1CXCL8
SCHEMBL7612146 0.72 TDP1 (0.47) TDP1ACP3KDM4EHPGD
SCHEMBL7744762 0.70 CXCL8 (0.40) TDP1L3MBTL1CXCL8ALDH1A1
SCHEMBL5058028 0.70 FOLH1 (0.50) ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed