SCHEMBL7606879

SCHEMBL7606879

CCCCC(C(=O)O)c1c(NP(=O)(O)Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CNR1 P21554 1/20 0.36
TACR3 P29371 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
ATM Q13315 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
CETP P11597 3/20 0.34

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
SCHEMBL7609434 0.94 MEN1 (0.37) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL7609447 0.89 ACP3 (0.36) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL7607490 0.82 AKR1B1 (0.39) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL7608438 0.79 CETP (0.39) CNR2CNR1L3MBTL1NPSR1ALDH1A1
SCHEMBL7604642 0.73 KDM4E (0.51) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL7605243 0.72 HTT (0.38) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL7604710 0.72 ALOX5 (0.38) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL7606184 0.72 ALDH1A1 (0.41) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL7614727 0.71 KMT2A (0.41) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL7604389 0.71 TACR3 (0.39) CNR2TACR3CETP

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 10 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-A4 1999-08-25 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 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
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed