SCHEMBL9640342

SCHEMBL9640342

CC(C)Oc1cccc(NC(=O)c2ccc(C(=O)c3ccc(C(=O)Nc4cccc(OC(C)C)c4)cc3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.66
F2 P00734 1/20 0.66
PLG P00747 1/20 0.66
PLAT P00750 1/20 0.66
KLKB1 P03952 1/20 0.66
PRSS1 P07477 1/20 0.66
KMT2A Q03164 4/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
TP53 P04637 3/20 0.64
PKM P14618 2/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 3/20 0.62
HTT P42858 2/20 0.62
POLB P06746 2/20 0.62
LMNA P02545 1/20 0.62
RECQL P46063 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
NLRP3 Q96P20 1/20 0.60

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
SCHEMBL21620321 0.90 CYP1A2 (0.66) PLAUF2PLGPLATKLKB1
SCHEMBL23367928 0.89 RAB9A (0.75) PLAUF2PLGPLATKLKB1
SCHEMBL21652225 0.87 KCNK9 (0.68) PLAUF2PLGPLATKLKB1
SCHEMBL14082970 0.83 PLAU (0.57) PLAUF2PLGPLATKLKB1
SCHEMBL23367931 0.82 CYP1A2 (0.78) PLAUF2PLGPLATKLKB1
SCHEMBL5182427 0.82 NPC1 (0.61) PLAUF2PLGPLATKLKB1
SCHEMBL2093226 0.81 CA2 (0.58) PLAUF2PLGPLATKLKB1
SCHEMBL10055020 0.81 NPC1 (0.94) KMT2ANPC1RAB9ATP53PKM
SCHEMBL2093222 0.81 CA2 (0.58) PLAUF2PLGPLATKLKB1
SCHEMBL17680726 0.81 CA2 (0.58) PLAUF2PLGPLATKLKB1

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
EP-0282266-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID AMIDES OR ESTERS NIHON NOHYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
US-5142057-A Reacting an organic chloride with carbon monoxide and amine NIHON NOHYAKU CO., LTD. (JP) 1992-08-25 US disclosed