SCHEMBL9838844

SCHEMBL9838844

CCCCc1cc(O)ccc1N1C(=O)C=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.50
MGLL Q99685 4/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
ERAP1 Q9NZ08 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 2/20 0.44
ALOX5 P09917 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
FAAH O00519 1/20 0.41
MAPK1 P28482 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9837583 0.91 MGLL (0.50) TYRMGLLALDH1A1GAAERAP1
SCHEMBL30474621 0.85 MGLL (0.59) MGLLTDP1TSHRFAAHMAPK1
SCHEMBL9838914 0.85 MGLL (0.59) MGLLTDP1TSHRFAAHMAPK1
SCHEMBL28170465 0.83 MGLL (0.49) MGLLMAPTHTTTP53FAAH
SCHEMBL8678980 0.83 MGLL (0.53) MGLLALDH1A1FAAHNR1H2NR1H3
SCHEMBL1645765 0.82 MGLL (0.48) MGLLALDH1A1FAAHNR1H2NR1H3
SCHEMBL9839615 0.81 MGLL (0.42) MGLLALDH1A1GAATDP1ALOX15
SCHEMBL3873448 0.78 MGLL (0.73) MGLLALDH1A1MEN1KMT2AMAPT
SCHEMBL9838856 0.77 MEN1 (0.46) MGLLALDH1A1GAAMEN1KMT2A
Acrylonitrile SCHEMBL29033301 0.75 MGLL (0.47) MGLLTDP1TSHRMAPK1HSP90AA1

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