SCHEMBL7746892

SCHEMBL7746892

O=C(O)Cc1ccccc1OP(=O)(O)C1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 3/20 0.43
CXCL8 P10145 2/20 0.43
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 1/20 0.36
IDUA P35475 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36

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
SCHEMBL8057000 0.81 HPGD (0.49) SMN1; SMN2HPGDCXCL8KDM4EALDH1A1
SCHEMBL8057007 0.78 HPGD (0.42) SMN1; SMN2HPGDCXCL8KDM4EALDH1A1
SCHEMBL8063636 0.77 HPGD (0.41) HPGDCXCL8MAPTKDM4EALDH1A1
SCHEMBL7604663 0.76 SMN1; SMN2 (0.45) SMN1; SMN2GAAHPGDCXCL8PKM
SCHEMBL18607331 0.74 CXCL8 (0.58) HPGDCXCL8KDM4EALDH1A1CHRM1
SCHEMBL7609798 0.72 CXCL8 (0.48) HPGDCXCL8CHRM1FABP4FABP5
SCHEMBL20472218 0.72 CXCL8 (0.60) CXCL8CHRM1FABP4FABP5CAMK2A
SCHEMBL7221504 0.72 HPGD (0.44) HPGDCXCL8CHRM1
SCHEMBL7616110 0.68 GAA (0.48) SMN1; SMN2GAAHPGDPKMKDM4E
SCHEMBL31112715 0.67 ESR1 (0.52) SMN1; SMN2HPGDCXCL8KDM4EALDH1A1

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

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