SCHEMBL7744719

SCHEMBL7744719

O=C(O)Cc1ccccc1NP(=O)(O)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CXCL8 P10145 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
AKR1B10 O60218 1/20 0.40
UGT1A9 O60656 1/20 0.40
TRPA1 O75762 1/20 0.40
ABCB11 O95342 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
UGT1A6 P19224 1/20 0.40
UGT1A1 P22309 1/20 0.40
PTGS1 P23219 1/20 0.40
CXCR1 P25024 1/20 0.40

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
SCHEMBL7632510 0.78 EPHX2 (0.50) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL7609798 0.74 CXCL8 (0.48) CNR1CNR2CXCL8NPC1HPGD
SCHEMBL7604663 0.72 SMN1; SMN2 (0.45) CNR1CNR2CXCL8ALDH1A1KMT2A
SCHEMBL8061440 0.72 CXCL8 (0.58) CXCL8PTGS2NR1H4AKR1B10UGT1A9
SCHEMBL8064167 0.71 CXCL8 (0.47) CXCL8PTGS2NR1H4AKR1B10UGT1A9
SCHEMBL8046688 0.70 CXCL8 (0.49) CXCL8ALDH1A1PTGS2NR1H4AKR1B10
SCHEMBL8057238 0.70 CXCL8 (0.43) CXCL8ALDH1A1PTGS2NR1H4AKR1B10
SCHEMBL8061466 0.70 PTGS2 (0.47) CXCL8ALDH1A1PTGS2NR1H4AKR1B10
SCHEMBL8063968 0.69 CXCL8 (0.42) CXCL8ALDH1A1KMT2ATDP1PTGS2
SCHEMBL7746864 0.69 ALDH1A1 (0.44) CXCL8ALDH1A1PTGS2NR1H4AKR1B10

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-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-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 US disclosed