SCHEMBL7929167

SCHEMBL7929167

CCCCCCC(C(CC)(C(=O)O)c1ccsc1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.37
CSNK1E P49674 1/20 0.35
CNR2 P34972 1/20 0.34
ENPP2 Q13822 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32

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
SCHEMBL7928430 0.86 CETP (0.36) CETPCSNK1ECNR2PRSS1CTSG
SCHEMBL7931915 0.75 CETP (0.41) CETPCNR2PRSS1CTSGCTRB1
SCHEMBL5053060 0.74 CETP (0.39) CETPCSNK1ECNR2ENPP2DGAT2
SCHEMBL5051174 0.73 CETP (0.38) CETPCSNK1ECNR2ENPP2DGAT2
SCHEMBL5053293 0.73 CETP (0.41) CETPCSNK1ECNR2ENPP2S1PR4
SCHEMBL5053184 0.72 CETP (0.39) CETPCSNK1ECNR2
SCHEMBL7925674 0.72 KDM4E (0.38) CETPCNR2
SCHEMBL7928566 0.71 MMP1 (0.34)
SCHEMBL7606682 0.71 MMP1 (0.35) CETP
SCHEMBL7928376 0.69 CETP (0.39) CETPCSNK1ECNR2ENPP2DGAT2

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 disclosed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP disclosed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 WO disclosed