SCHEMBL28587779

SCHEMBL28587779

COC(=O)COc1ccc2c(Cl)ccc(O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 2/20 0.51
PIM1 P11309 1/20 0.42
LMNA P02545 2/20 0.41
BRD4 O60885 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 2/20 0.38
POLB P06746 1/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
PTGS2 P35354 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL29006719 0.85 KDM4E (0.47) KDM4EKMT2APIM1LMNABRD4
SCHEMBL29222942 0.79 MAPT (0.52) KDM4EKMT2APIM1LMNABRD4
SCHEMBL29222762 0.77 KDM4E (0.45) KDM4EKMT2APIM1MAPTMETAP2
SCHEMBL3989929 0.75 KDM4E (0.52) KDM4EKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL29790439 0.72 KDM4E (0.48) KDM4EKMT2ALMNAMAPTPKM
Cloxyquin SCHEMBL28598770 0.71 KDM4E (0.66) KDM4ELMNABRD4HSP90AA1MAPT
SCHEMBL11848310 0.70 L3MBTL1 (0.49) KDM4EKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1153422 0.69 PKM (0.74) KDM4EKMT2ALMNAHSP90AA1MAPT
SCHEMBL29452815 0.69 PKM (0.74) KDM4EKMT2ALMNAHSP90AA1MAPT
SCHEMBL2547519 0.69 LMNA (0.51) KDM4EKMT2ALMNAMAPTSMN1; SMN2

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-113461610-A Preparation process and preparation system of cloquintocet-mexyl 新沂市永诚化工有限公司 2021-10-01 CN claimed
CN-116514713-A Synthesis process of safener cloquintocet-mexyl 江苏中旗科技股份有限公司 2023-08-01 CN disclosed
CN-115970622-A Method and system for chemically synthesizing cloquintocet-mexyl 新沂市永诚化工有限公司 2023-04-18 CN disclosed
CN-113461610-A Preparation process and preparation system of cloquintocet-mexyl 新沂市永诚化工有限公司 2021-10-01 CN disclosed
CN-113461610-A Preparation process and preparation system of cloquintocet-mexyl 新沂市永诚化工有限公司 2021-10-01 CN disclosed
CN-113121431-A Method for chemically synthesizing cloquintocet-mexyl 新沂市永诚化工有限公司 2021-07-16 CN disclosed