SCHEMBL8046473

SCHEMBL8046473

O=C(O)Cc1ccccc1NP(=O)(O)Cc1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 4/20 0.44
POLB P06746 1/20 0.42
PTGS2 P35354 4/20 0.39
NR1H4 Q96RI1 2/20 0.39
TTR P02766 2/20 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
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
SLC22A6 Q4U2R8 1/20 0.39
UGT1A7 Q9HAW7 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
SCHEMBL8046688 0.80 CXCL8 (0.49) CXCL8PTGS2NR1H4TTRAKR1B10
SCHEMBL8061466 0.80 PTGS2 (0.47) CXCL8PTGS2NR1H4TTRAKR1B10
SCHEMBL8057238 0.80 CXCL8 (0.43) CXCL8PTGS2NR1H4TTRAKR1B10
SCHEMBL8063968 0.79 CXCL8 (0.42) CXCL8POLBPTGS2NR1H4TTR
SCHEMBL7632684 0.78 HPGD (0.44) POLBTDP1L3MBTL1GRM5
SCHEMBL7604656 0.78 NR1H4 (0.45) CXCL8PTGS2NR1H4TTRAKR1B10
SCHEMBL8064063 0.77 MMP2 (0.46) POLBPTGS2NR1H4PTGS1
SCHEMBL8059092 0.77 NAPRT (0.51) CXCL8CYP2C9CFD
SCHEMBL8061558 0.77 PTGS2 (0.47) CXCL8PTGS2NR1H4TTRAKR1B10
SCHEMBL8061440 0.76 CXCL8 (0.58) CXCL8PTGS2NR1H4TTRAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed