SCHEMBL7606737

SCHEMBL7606737

CCCC(OP(=O)(O)Cc1ccccc1)(C(=O)O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.42
KCNA5 P22460 1/20 0.40
GPR132 Q9UNW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
BTN3A1 O00481 1/20 0.37
PDE3A Q14432 1/20 0.37
GRM2 Q14416 1/20 0.36
CETP P11597 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NAPRT Q6XQN6 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
SCHEMBL7614098 0.91 FDPS (0.43) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7605187 0.81 FDPS (0.45) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL8425910 0.79 KCNA5 (0.46) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7609232 0.79 CETP (0.36) CETP
SCHEMBL7610346 0.79 PTPN1 (0.43) CETPKMT2A
SCHEMBL5054253 0.78 KCNA5 (0.40) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7603936 0.76 FDPS (0.43) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7610257 0.76 FDPS (0.42) FDPSKCNA5GPR132CYP1A2CYP3A4
SCHEMBL7605240 0.74 ACP3 (0.41) CETPLMNAKDM4E
SCHEMBL7931729 0.73 KCNA5 (0.40) FDPSKCNA5GPR132CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP 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-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-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-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed