SCHEMBL7744762

SCHEMBL7744762

CCC(c1ccsc1)P(=O)(O)Oc1ccccc1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.40
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CFD P00746 4/20 0.34
F11 P03951 4/20 0.34
TPSB2 P20231 4/20 0.34
CHRM1 P11229 1/20 0.34
CAMK2A Q9UQM7 2/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
KLKB1 P03952 1/20 0.31
F7 P08709 1/20 0.31

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
SCHEMBL8063985 0.86 CXCL8 (0.41) CXCL8TDP1L3MBTL1CFDF11
SCHEMBL7746878 0.80 CXCL8 (0.40) CXCL8TDP1CFDF11TPSB2
SCHEMBL8064207 0.79 LMNA (0.40) CXCL8L3MBTL1CFDF11TPSB2
SCHEMBL8057208 0.79 PTGS2 (0.39) CXCL8CAMK2A
SCHEMBL7744718 0.76 TDP1 (0.47) CXCL8TDP1L3MBTL1ALDH1A1
SCHEMBL5051182 0.74 IDO1 (0.36)
SCHEMBL8059158 0.73 CXCL8 (0.44) CXCL8TDP1L3MBTL1CFDF11
SCHEMBL8057233 0.72 PPARG (0.41) CXCL8CFDF11TPSB2CHRM1
SCHEMBL5053144 0.71 FOLH1 (0.34)
SCHEMBL18607331 0.70 CXCL8 (0.58) CXCL8TDP1L3MBTL1CFDF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514160-A 2002-05-14 JP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
EP-0936914-A4 1999-08-25 EP 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