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SCHEMBL7604484

SCHEMBL7604484

CP(=O)(O)CC(CCCCCCCC(=O)OC(=O)CCCCCCC(CP(=O)(O)Cc1ccccc1)C(=O)O)C(=O)OC(=O)CCCCCCCC(CP(=O)(O)Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.41
▸ MMP13 P45452 4/20 0.40
▸ MMP3 P08254 3/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39

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
SCHEMBL7604478 0.85 FOLH1 (0.52) FOLH1CPB2
SCHEMBL5053110 0.80 FOLH1 (0.53) FOLH1
SCHEMBL5054569 0.80 FOLH1 (0.53) FOLH1
SCHEMBL5059943 0.80 FOLH1 (0.53) FOLH1
SCHEMBL5053188 0.79 FOLH1 (0.54) FOLH1
SCHEMBL5057818 0.75 MMP1 (0.52) FOLH1MMP13MMP3MMP2MMP1
SCHEMBL5051342 0.75 FOLH1 (0.59) FOLH1
SCHEMBL1373664 0.74 GRM3 (0.65) FOLH1
SCHEMBL5051270 0.74 MMP1 (0.59) FOLH1MMP13MMP3MMP2MMP1
SCHEMBL5134279 0.72 MMP13 (0.60) MMP13MMP3MMP2MMP1MMP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A — — 2002-05-21 — — JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 — — EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 — — WO claimed