SCHEMBL28539082

SCHEMBL28539082

O=C(O)CCOc1ccccc1.[Mn].[Zr]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALOX15 P16050 1/20 0.57
FFAR1 O14842 4/20 0.56
LTA4H P09960 1/20 0.55
PKM P14618 1/20 0.55
LMNA P02545 1/20 0.55
RECQL P46063 2/20 0.54
PPARA Q07869 2/20 0.54
MMP2 P08253 1/20 0.54
TSHR P16473 1/20 0.54
KCNA3 P22001 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PARP10 Q53GL7 1/20 0.52

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
SCHEMBL38674 0.96 L3MBTL1 (0.68) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10877978 0.94 L3MBTL1 (0.66) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10583018 0.88 LTA4H (0.69) L3MBTL1FFAR1LTA4HPKMPPARA
Butyric Acid SCHEMBL28143973 0.86 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
Anisole SCHEMBL28094109 0.86 MAPT (0.65) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL295889 0.85 PPARA (0.66) ALOX15FFAR1LTA4HPPARAKCNA3
SCHEMBL5638782 0.84 PKM (0.56) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12223524 0.84 PKM (0.56) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7049002 0.84 MMP2 (0.70) L3MBTL1FFAR1LTA4HPPARAMMP2
Quinoxaline SCHEMBL6035457 0.83 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112609073-B Rare earth extraction composite material, preparation method and application 江苏南方永磁科技有限公司 2022-04-12 CN claimed
CN-112609073-A Rare earth extraction composite material, preparation method and application 江苏南方永磁科技有限公司 2021-04-06 CN claimed
CN-112609073-B Rare earth extraction composite material, preparation method and application 江苏南方永磁科技有限公司 2022-04-12 CN disclosed
CN-112609073-B Rare earth extraction composite material, preparation method and application 江苏南方永磁科技有限公司 2022-04-12 CN disclosed
CN-112609073-A Rare earth extraction composite material, preparation method and application 江苏南方永磁科技有限公司 2021-04-06 CN disclosed
CN-112609073-A Rare earth extraction composite material, preparation method and application 江苏南方永磁科技有限公司 2021-04-06 CN disclosed