SCHEMBL28575878

SCHEMBL28575878

COC(=O)CC1C=CC=CC1(OC)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSD11B1 P28845 1/20 0.32
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28572100 0.85 KMT2A (0.39) MAPTHSD11B1MEN1KMT2A
SCHEMBL11507777 0.71 TSHR (0.35) MAPTALDH1A1KMT2A
SCHEMBL22733786 0.70 TSHR (0.37) MAPTALDH1A1KMT2A
SCHEMBL3683069 0.68 TSHR (0.35) MAPTALDH1A1KMT2A
SCHEMBL5379373 0.62 EPHX2 (0.35) KMT2A
Dimethyl Succinate SCHEMBL28855651 0.62 TSHR (0.54) PTGS2MAPTALDH1A1CYP11B1CYP11B2
SCHEMBL10564363 0.61 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15778834 0.60 SMN1; SMN2 (0.53) PTGS2MAPTALDH1A1SMN1; SMN2HSD11B1
SCHEMBL9435349 0.60 MDM2 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28619743 0.60 HTT (0.34) MAPTALDH1A1HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929226-B Method for preparing benzoyl formate derivative 广东工业大学 2021-05-28 CN claimed
CN-108929226-B Method for preparing benzoyl formate derivative 广东工业大学 2021-05-28 CN disclosed