SCHEMBL28559591

SCHEMBL28559591

COC(=O)c1ccc(S(C)(=O)=O)c(COCC2CCCO2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.40
SCN9A Q15858 1/20 0.39
OXTR P30559 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 3/20 0.37
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL31070411 0.90 KMT2A (0.41) ALDH1A1KDM4EHPGDTHRBSCN9A
SCHEMBL29695278 0.90 OXTR (0.39) ALDH1A1KDM4EHPGDTHRBSCN9A
SCHEMBL29695380 0.90 KMT2A (0.41) ALDH1A1KDM4EHPGDTHRBSCN9A
SCHEMBL25001232 0.90 KMT2A (0.41) ALDH1A1KDM4EHPGDTHRBSCN9A
SCHEMBL31070409 0.90 KMT2A (0.41) ALDH1A1KDM4EHPGDTHRBSCN9A
SCHEMBL23234159 0.90 OXTR (0.39) ALDH1A1KDM4EHPGDTHRBSCN9A
SCHEMBL27912591 0.86 OXTR (0.37) ALDH1A1KDM4EHPGDTHRBSCN9A
SCHEMBL118936 0.85 OXTR (0.36) ALDH1A1HSD17B10KDM4EHPGDTHRB
SCHEMBL16021163 0.84 KDM4E (0.39) ALDH1A1KDM4ETHRBSCN9AOXTR
SCHEMBL12770865 0.82 OXTR (0.34) KDM4ETHRBSCN9AOXTRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535106-B Preparation method of benzofuranone 安徽工大化工科技有限公司 2020-12-29 CN claimed
CN-117024382-A Preparation method of furansulcotrione and intermediate thereof 安徽久易农业股份有限公司 2023-11-10 CN disclosed
CN-109535106-B Preparation method of benzofuranone 安徽工大化工科技有限公司 2020-12-29 CN disclosed
CN-109535106-B Preparation method of benzofuranone 安徽工大化工科技有限公司 2020-12-29 CN disclosed