SCHEMBL14521652

SCHEMBL14521652

CCC(C)C(NC(=O)CCCCCNC(C)=O)C(=O)NC(CCC(=O)OC)C(=O)N1CCCC1C(=O)NC(CC(=O)OC)P(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.44
▸ F2 P00734 5/20 0.42
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ NMUR2 Q9GZQ4 1/20 0.39
▸ NMUR1 Q9HB89 1/20 0.39
▸ REN P00797 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ STAT3 P40763 1/20 0.38
▸ NTSR2 O95665 1/20 0.38
▸ NTSR1 P30989 1/20 0.38

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
SCHEMBL9925691 0.79 PLG (0.62) F2PLGPRSS1PRSS2PRSS3
SCHEMBL13402533 0.67 DPP4 (0.49) NPY1R
SCHEMBL13315233 0.66 OPRD1 (0.56) F2MAPK8MAPK9MAPK10OPRD1
SCHEMBL7617115 0.66 MAPK8 (0.45) F2MAPK8MAPK9MAPK10
SCHEMBL10058596 0.65 NTSR1 (0.61) MAPK8MAPK9MAPK10RENOPRD1
SCHEMBL29946190 0.65 GZMB (0.52) F2RENNPY1RNTSR2NTSR1
SCHEMBL22148957 0.64 NPY1R (0.47) F2NPY1ROPRD1NTSR2NTSR1
SCHEMBL30512666 0.63 AGTR2 (0.55) RENOPRD1NTSR2NTSR1
SCHEMBL3489108 0.63 CASP3 (0.52) F2RENNTSR2NTSR1
SCHEMBL6032452 0.63 NPY1R (0.43) F2RENNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082377-A1 Cytotoxicity assays IMMUNOCHEMISTRY TECHNOLOGIES, LLC 2007-04-12 — — US disclosed
US-20070082377-A1 Cytotoxicity assays IMMUNOCHEMISTRY TECHNOLOGIES, LLC 2007-04-12 — — US disclosed
Send feedback