SCHEMBL21034416

SCHEMBL21034416

CCOC(=O)COc1ncccc1COc1cc(NC)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 3/20 0.39
PKM P14618 1/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
NLRP3 Q96P20 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL21034419 0.81 PPOX (0.41) THRBL3MBTL1TDP1TSHRGAA
SCHEMBL22488065 0.77 THRB (0.40) THRBL3MBTL1TDP1TSHRGAA
SCHEMBL22488072 0.73 THRB (0.36) THRBL3MBTL1TDP1TSHRGAA
SCHEMBL5593107 0.71 MAPK1 (0.42) THRBL3MBTL1TDP1TSHRGAA
SCHEMBL21001301 0.71 GAA (0.40) THRBL3MBTL1TDP1TSHRGAA
SCHEMBL21034414 0.71 PTGDR2 (0.47) TDP1TSHRMRGPRX4
SCHEMBL21307683 0.70 P2RY1 (0.41) THRBL3MBTL1TSHRHTTNPSR1
SCHEMBL6637969 0.70 P2RY1 (0.41) THRBL3MBTL1TSHRLMNAMAPT
SCHEMBL5593022 0.70 SLC6A2 (0.41) THRBL3MBTL1TDP1SMN1; SMN2NPSR1
SCHEMBL21086833 0.69 P2RY1 (0.43) THRBL3MBTL1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed