SCHEMBL8058401

SCHEMBL8058401

Cc1ccc(CP(=O)(O)Oc2ccccc2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.46
CAMK2A Q9UQM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CHRM1 P11229 1/20 0.39
AKR1B1 P15121 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFD P00746 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL8061507 0.88 CXCL8 (0.50) CXCL8CAMK2AL3MBTL1CHRM1AKR1B1
SCHEMBL8064201 0.87 MMP2 (0.47) CXCL8L3MBTL1NPC1ALDH1A1KDM4E
SCHEMBL8061527 0.86 MEN1 (0.45) CXCL8CAMK2ACHRM1LMNAMEN1
SCHEMBL8046728 0.84 CXCL8 (0.46) CXCL8CAMK2AL3MBTL1CHRM1AKR1B1
SCHEMBL7744722 0.82 CXCL8 (0.44) CXCL8CAMK2ACHRM1AKR1B1NPC1
SCHEMBL8059158 0.80 CXCL8 (0.44) CXCL8CAMK2AL3MBTL1CHRM1AKR1B1
SCHEMBL19094074 0.79 CETP (0.41) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8058590 0.79 NAPRT (0.51) CXCL8ALDH1A1
SCHEMBL8046814 0.78 CXCL8 (0.58) CXCL8CAMK2AL3MBTL1CHRM1AKR1B1
SCHEMBL18607331 0.77 CXCL8 (0.58) CXCL8CAMK2AL3MBTL1CHRM1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed