SCHEMBL7604663

SCHEMBL7604663

O=C(O)Cc1ccccc1NP(=O)(O)C1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 2/20 0.42
NR1H4 Q96RI1 2/20 0.41
CXCL8 P10145 4/20 0.40
PTGS2 P35354 3/20 0.39
AKR1B10 O60218 1/20 0.39
UGT1A9 O60656 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
MT-CO2 P00403 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
UGT1A6 P19224 1/20 0.39
UGT1A1 P22309 1/20 0.39
PTGS1 P23219 1/20 0.39
CXCR1 P25024 1/20 0.39
ADRA1A P35348 1/20 0.39
AGTR2 P50052 1/20 0.39
NR1I3 Q14994 1/20 0.39

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
SCHEMBL8063640 0.81 HPGD (0.46) SMN1; SMN2HPGDPTGS2ALDH1A1GLA
SCHEMBL8061269 0.78 HPGD (0.43) SMN1; SMN2GAAHPGDNR1H4PTGS2
SCHEMBL7604366 0.77 HPGD (0.40) HPGDNR1H4CXCL8PTGS2MEN1
SCHEMBL7746892 0.76 SMN1; SMN2 (0.45) SMN1; SMN2GAAHPGDCXCL8ALDH1A1
SCHEMBL7744719 0.72 CNR1 (0.45) SMN1; SMN2HPGDNR1H4CXCL8PTGS2
SCHEMBL7604660 0.68 SMN1; SMN2 (0.48) SMN1; SMN2GAAHPGDALDH1A1GLA
SCHEMBL8057000 0.67 HPGD (0.49) SMN1; SMN2HPGDCXCL8ALDH1A1GLA
SCHEMBL11725074 0.65 ALDH1A1 (0.60) SMN1; SMN2GAAHPGDNR1H4CXCL8
SCHEMBL8061633 0.65 CXCL8 (0.51) NR1H4CXCL8PTGS2AKR1B10UGT1A9
SCHEMBL8061440 0.65 CXCL8 (0.58) GAANR1H4CXCL8PTGS2AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING 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