SCHEMBL7604389

SCHEMBL7604389

CCCCC(C(=O)O)c1cc(P(=O)(O)Cc2ccccc2)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.39
CETP P11597 4/20 0.38
ACP3 P15309 2/20 0.38
CTSG P08311 1/20 0.37
CNR2 P34972 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 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
SCHEMBL7609396 0.97 CETP (0.40) TACR3CETPACP3CTSGCNR2
SCHEMBL7609378 0.93 ACP3 (0.39) CETPACP3CTSG
SCHEMBL7604547 0.89 ACP3 (0.40) ACP3CTSG
SCHEMBL7607401 0.83 CNR2 (0.40) CETPCNR2PTGESALOX5
SCHEMBL7610424 0.82 CTSG (0.43) ACP3CTSG
SCHEMBL7609846 0.80 CNR2 (0.41) CETPCNR2PTGESALOX5
SCHEMBL7610445 0.75 PPARG (0.41) CETPCNR2
SCHEMBL6842064 0.75 ALOX5 (0.44) ACP3ALOX5
SCHEMBL7614365 0.74 KMT2A (0.41) ACP3CTSG
SCHEMBL7610507 0.72 AKR1C3 (0.39) CETP

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 9 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-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed