SCHEMBL7928430

SCHEMBL7928430

CCCCCC(C(C)(C(=O)O)c1ccsc1)P(=O)(O)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.36
CNR2 P34972 2/20 0.36
CSNK1E P49674 1/20 0.34
PRSS1 P07477 2/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CTSK P43235 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL7929167 0.86 CETP (0.37) CETPCNR2CSNK1EPRSS1CTSG
SCHEMBL7928566 0.81 MMP1 (0.34) MMP1MMP2MMP3
SCHEMBL7928376 0.77 CETP (0.39) CETPCNR2CSNK1EPRSS1CTSG
SCHEMBL7920074 0.75 DRD2 (0.39) CETPMMP2MMP3PPARGPPARA
SCHEMBL5051174 0.74 CETP (0.38) CETPCNR2CSNK1EMMP2MMP3
SCHEMBL7926749 0.74 PTPN1 (0.43) CETPMMP1PPARGPPARA
SCHEMBL5053060 0.74 CETP (0.39) CETPCNR2CSNK1ECNR1
SCHEMBL5053184 0.74 CETP (0.39) CETPCNR2CSNK1E
SCHEMBL6037795 0.73 CETP (0.34) CETPMMP1
SCHEMBL7606725 0.73 MMP1 (0.38) CETPMMP1MMP2MMP3

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