SCHEMBL9404733

SCHEMBL9404733

CCOC(=O)COc1cc(-c2cc(O)n(C)n2)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.48
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADRB3 P13945 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL27303070 0.78 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1
SCHEMBL31118333 0.77 PPOX (0.53) PPOXGAAPKML3MBTL1TDP1
Pyraflufen-Ethyl SCHEMBL29480904 0.76 PPOX (0.44) PPOXGAAPKML3MBTL1TDP1
Pyraflufen-Ethyl SCHEMBL53390 0.76 PPOX (0.44) PPOXGAAPKML3MBTL1TDP1
SCHEMBL27500378 0.76 LMNA (0.47) PPOXGAAPKML3MBTL1TDP1
SCHEMBL27833523 0.75 PPOX (0.44) PPOXGAAPKML3MBTL1TDP1
SCHEMBL9082258 0.73 KDM4E (0.45) GAAL3MBTL1TSHRMAPTMEN1
SCHEMBL7533766 0.73 PPOX (0.56) PPOXGAAPKML3MBTL1TDP1
SCHEMBL6935585 0.72 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1
SCHEMBL6934929 0.72 PPOX (0.46) PPOXGAAPKML3MBTL1TDP1

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
JP-6199804-A None JP disclosed
JP-H06199804-A PRODUCTION OF 3-SUBSTITUTED PHENYL-5-HYDROXYPYRAZOLE DERIVATIVE NIPPON NOHYAKU CO LTD 1994-07-19 JP disclosed