SCHEMBL7605953

SCHEMBL7605953

CC(CP(=O)(O)Cc1ccccc1)(C(=O)O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.44
MMP13 P45452 6/20 0.44
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
EPHX2 P34913 1/20 0.38
GRB2 P62993 1/20 0.37
MMP3 P08254 2/20 0.37
MMP2 P08253 2/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7609460 0.80 MMP1 (0.39) MMP1MMP13
SCHEMBL7604579 0.77 MMP1 (0.41) MMP1MMP13KEAP1NFE2L2EPHX2
SCHEMBL7610962 0.76 MMP1 (0.41) MMP1MMP13KEAP1NFE2L2EPHX2
SCHEMBL7928411 0.75 MMP1 (0.40) MMP1MMP13KEAP1NFE2L2EPHX2
SCHEMBL19182953 0.74 KEAP1 (0.41) KEAP1NFE2L2EPHX2L3MBTL1
SCHEMBL10408164 0.72 ALDH1A1 (0.45) L3MBTL1
SCHEMBL4287108 0.71 EPHX2 (0.42) KEAP1NFE2L2EPHX2L3MBTL1
SCHEMBL4928988 0.71 HPGD (0.38) MMP1MMP13EPHX2L3MBTL1
SCHEMBL4278250 0.70 L3MBTL1 (0.45) EPHX2L3MBTL1
SCHEMBL5060074 0.69 MMP1 (0.45) MMP1MMP13EPHX2

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-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
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
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
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO 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