SCHEMBL9837583

SCHEMBL9837583

CCCc1cc(O)ccc1N1C(=O)C=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.50
HSD17B3 P37058 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 2/20 0.41
PTPN11 Q06124 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
TYR P14679 2/20 0.38
TLR9 Q9NR96 2/20 0.37
G6PD P11413 1/20 0.37
ANPEP P15144 1/20 0.37
DPP4 P27487 1/20 0.37
FAAH O00519 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9838844 0.91 TYR (0.50) MGLLHSD17B3TDP1HSP90AA1PKM
SCHEMBL30474621 0.88 MGLL (0.59) MGLLHSD17B3TDP1HSP90AA1PKM
SCHEMBL9838914 0.88 MGLL (0.59) MGLLHSD17B3TDP1HSP90AA1PKM
SCHEMBL9839615 0.83 MGLL (0.42) MGLLHSD17B3TDP1HSP90AA1PKM
SCHEMBL19511516 0.81 MGLL (0.51) MGLLHSP90AA1NPSR1TLR9G6PD
Acrylonitrile SCHEMBL29033301 0.78 MGLL (0.47) MGLLHSD17B3TDP1HSP90AA1PKM
SCHEMBL30302472 0.76 MGLL (0.79) MGLLTDP1HSP90AA1PKMNPSR1
SCHEMBL3774325 0.76 MGLL (0.79) MGLLTDP1HSP90AA1PKMNPSR1
SCHEMBL3869199 0.74 ESR1 (0.62) MGLLTDP1HSP90AA1PKMMAPK1
SCHEMBL30474623 0.74 ESR1 (0.62) MGLLTDP1HSP90AA1PKMMAPK1

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-5075453-A Process for producing aryloxy-substituted phosphazene derivatives NIPPON SODA CO., LTD. (JP) 1991-12-24 US disclosed
US-4855389-A Process for producing phosphonitrile oligomers containing maleimidophenoxy group SHIN NISSO KAKO CO., LTD. (JP) 1989-08-08 US disclosed