SCHEMBL8046814

SCHEMBL8046814

O=C(O)Cc1ccccc1OP(=O)(O)Cc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 4/20 0.58
CAMK2A Q9UQM7 2/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.40
AKR1B1 P15121 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.37

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 0.85 CXCL8 (0.50) CXCL8CAMK2AALDH1A1KMT2ACHRM1
SCHEMBL18607331 0.79 CXCL8 (0.58) CXCL8CAMK2AALDH1A1CHRM1AKR1B1
SCHEMBL8046728 0.78 CXCL8 (0.46) CXCL8CAMK2AALDH1A1CHRM1AKR1B1
SCHEMBL8058401 0.78 CXCL8 (0.46) CXCL8CAMK2AMEN1ALDH1A1KMT2A
SCHEMBL8063993 0.77 CXCL8 (0.45) CXCL8CAMK2AMEN1KMT2ACHRM1
SCHEMBL8061525 0.77 CXCL8 (0.45) CXCL8CAMK2AALDH1A1FABP4FABP5
SCHEMBL20472218 0.77 CXCL8 (0.60) CXCL8CAMK2ACHRM1AKR1B1FABP4
SCHEMBL7744722 0.76 CXCL8 (0.44) CXCL8CAMK2AMEN1KMT2ACHRM1
SCHEMBL8064201 0.76 MMP2 (0.47) CXCL8ALDH1A1L3MBTL1
SCHEMBL8059158 0.76 CXCL8 (0.44) CXCL8CAMK2ACHRM1AKR1B1FABP4

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