SCHEMBL7605243

SCHEMBL7605243

CCCC(C(=O)O)c1c(OP(=O)(O)Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PSIP1 O75475 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
NCEH1 Q6PIU2 2/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
CETP P11597 4/20 0.35
PLA2G2D Q9UNK4 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
SCHEMBL7608438 0.94 CETP (0.39) HTTNPSR1GAAGPR55PPARG
SCHEMBL7611156 0.91 HTT (0.39) HTTNPSR1GAAGPR55PPARG
SCHEMBL7613495 0.84 NCEH1 (0.41) HTTNPSR1GAAGPR55KMT2A
SCHEMBL7604578 0.78 MEN1 (0.36) GAAPSIP1KMT2AALDH1A1MEN1
SCHEMBL7609434 0.78 MEN1 (0.37) HTTNPSR1GAAGPR55PPARG
SCHEMBL7608625 0.73 ALDH1A1 (0.50) GAAKMT2AALDH1A1MEN1NCEH1
SCHEMBL8460637 0.73 ALDH1A1 (0.42) KMT2AALDH1A1MEN1NCEH1
SCHEMBL8456010 0.72 ALDH1A1 (0.43) NPSR1KMT2AALDH1A1MEN1NCEH1
SCHEMBL7606879 0.72 CNR2 (0.36) NPSR1GAAKMT2AALDH1A1MEN1
SCHEMBL8459317 0.72 KMT2A (0.45) KMT2AALDH1A1MEN1NCEH1

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 12 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
JP-2002514184-A 2002-05-14 JP claimed
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 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-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO 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
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed