SCHEMBL28213570

SCHEMBL28213570

O=C(Cl)C(CCc1ccccc1)C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.51
▸ CNR2 P34972 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ ANPEP P15144 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ACP3 P15309 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45

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
SCHEMBL2291948 0.85 MMP8 (0.56) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL7751974 0.84 TSHR (0.47) MMP8CNR2TSHRPPARGPPARA
SCHEMBL27514855 0.82 GRIK1 (0.53) MMP8KEAP1PPARGPPARASMN1; SMN2
SCHEMBL9753996 0.82 CNR2 (0.47) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL3710024 0.80 TSHR (0.64) CNR2TSHRKEAP1SMN1; SMN2MEN1
SCHEMBL341788 0.79 ANPEP (0.52) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL6695161 0.79 ALDH1A1 (0.55) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL1586317 0.78 MDM2 (0.61) MMP8KEAP1ALDH1A1
SCHEMBL9264377 0.78 ANPEP (0.50) MMP8CNR2TSHRKEAP1ANPEP
SCHEMBL8534054 0.78 MMP8 (0.50) MMP8CNR2TSHRKEAP1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107986982-A A kind of method for preparing Primidone impurity A 精华制药集团南通有限公司 2018-05-04 — — CN claimed
CN-107986982-A A kind of method for preparing Primidone impurity A 精华制药集团南通有限公司 2018-05-04 — — CN disclosed
CN-107986982-A A kind of method for preparing Primidone impurity A 精华制药集团南通有限公司 2018-05-04 — — CN disclosed
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