SCHEMBL7610962

SCHEMBL7610962

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.41
MMP13 P45452 4/20 0.41
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRM1 P11229 5/20 0.37
CHRM3 P20309 5/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 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
SCHEMBL7647576 0.81 ALDH1A1 (0.36) MMP1MMP13
SCHEMBL7605953 0.76 MMP1 (0.44) MMP1MMP13KEAP1NFE2L2EPHX2
SCHEMBL7604579 0.75 MMP1 (0.41) MMP1MMP13KEAP1NFE2L2EPHX2
SCHEMBL7772647 0.74 HPGD (0.46) MMP1MMP13
SCHEMBL7928411 0.73 MMP1 (0.40) MMP1MMP13KEAP1NFE2L2CHRM3
SCHEMBL7610589 0.70 ALDH1A1 (0.44) MMP1MMP13
SCHEMBL5057851 0.70 FOLH1 (0.36) MMP1MMP13
SCHEMBL8457577 0.69 CYP19A1 (0.44) CHRM2CHRM1CHRM3
SCHEMBL7051418 0.69 HPGD (0.37)
SCHEMBL5053008 0.68 ANPEP (0.41) EPHX2ANPEPERAP2

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-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
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US 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-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
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed