SCHEMBL8768501

SCHEMBL8768501

O=C(O)Cc1ccccc1NCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 5/20 0.57
PTGS2 P35354 5/20 0.54
TTR P02766 2/20 0.54
NR1H4 Q96RI1 2/20 0.54
AKR1B10 O60218 1/20 0.54
UGT1A9 O60656 1/20 0.54
TRPA1 O75762 1/20 0.54
ABCB11 O95342 1/20 0.54
MT-CO2 P00403 1/20 0.54
ALB P02768 1/20 0.54
UGT1A6 P19224 1/20 0.54
UGT1A1 P22309 1/20 0.54
PTGS1 P23219 1/20 0.54
CXCR1 P25024 1/20 0.54
ADRA1A P35348 1/20 0.54
AGTR2 P50052 1/20 0.54
NR1I3 Q14994 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
UGT1A7 Q9HAW7 1/20 0.54
UGT1A10 Q9HAW8 1/20 0.54

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
SCHEMBL15015538 0.89 CXCL8 (0.57) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL11819008 0.83 PTGS2 (0.57) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL11217423 0.81 HSD17B10 (0.55) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL7683559 0.80 CXCL8 (0.61) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL11075664 0.79 CXCL8 (0.51) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL5471395 0.79 PTGS2 (0.53) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL6639572 0.79 NR1H4 (0.55) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL11042891 0.78 CXCL8 (0.64) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL8860337 0.78 CXCL8 (0.59) CXCL8PTGS2TTRNR1H4AKR1B10
SCHEMBL1964864 0.78 PTGS2 (0.60) CXCL8PTGS2TTRNR1H4AKR1B10

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
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP claimed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO claimed
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed