SCHEMBL7610487

SCHEMBL7610487

CC(CP(=O)(O)Cc1ccccc1)(C(=O)O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FDPS P14324 1/20 0.38
MMP1 P03956 2/20 0.38
RAB9A P51151 1/20 0.38
MMP3 P08254 2/20 0.37
MMP13 P45452 2/20 0.37
MMP2 P08253 2/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 2/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 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
SCHEMBL7606205 0.92 FDPS (0.43) HTTFDPSALDH1A1CYP3A4MAPT
SCHEMBL7612297 0.85 FDPS (0.47) HTTSMN1; SMN2FDPSRAB9AALDH1A1
SCHEMBL7607667 0.80 LMNA (0.40) HTTSMN1; SMN2MMP1MMP3MMP13
SCHEMBL7610504 0.78 PTPN1 (0.49) HTTSMN1; SMN2MMP1CYP3A4GAA
SCHEMBL7607525 0.78 MMP1 (0.37) SMN1; SMN2MMP1MMP3MMP13MMP2
SCHEMBL7605689 0.77 RAB9A (0.40) ALPLALPIALPGHTTSMN1; SMN2
SCHEMBL7608735 0.77 MMP1 (0.37) SMN1; SMN2MMP1RAB9AMMP3MMP13
SCHEMBL7605134 0.76 RAB9A (0.39) ALPLALPIALPGHTTSMN1; SMN2
SCHEMBL7931904 0.75 ALDH1A1 (0.38) ALPLALPIALPGHTTSMN1; SMN2
SCHEMBL7604545 0.73 ACP3 (0.46) MMP1MMP3MMP13MMP2MMP8

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
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-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
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 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