SCHEMBL7928565

SCHEMBL7928565

CCCCC(C(CC(C)c1ccccc1)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MME P08473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CETP P11597 4/20 0.37
CNR2 P34972 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TRPA1 O75762 2/20 0.36
ACE P12821 1/20 0.36
ECE1 P42892 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
SCHEMBL7929239 0.85 CETP (0.42) MMEMEN1KMT2ACETPCNR2
SCHEMBL5054496 0.85 CETP (0.40) CETPCNR2
SCHEMBL5054814 0.84 CETP (0.38) MEN1KMT2ACETPCNR2ACE
SCHEMBL5060648 0.83 CETP (0.46) MEN1KMT2ACETPCNR2HSD17B10
SCHEMBL5057863 0.83 GRM8 (0.42) KMT2A
SCHEMBL5057932 0.82 CETP (0.44) CETPCNR2HSD17B10
SCHEMBL7928559 0.81 POLB (0.39) POLBMMEMEN1KMT2ACETP
SCHEMBL5057891 0.81 ACP3 (0.41) KMT2ACETPCNR2
SCHEMBL5054584 0.80 FOLH1 (0.39) MEN1KMT2ACETPCNR2
SCHEMBL5054326 0.77 MMP1 (0.38) TRPA1ACE

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
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP claimed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP claimed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO claimed