SCHEMBL28566525

SCHEMBL28566525

COC(=O)[C@H](OS(=O)(=O)c1ccc(OC)cc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCKR Q14397 1/20 0.44
▸ MMP13 P45452 6/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ MMP9 P14780 5/20 0.41
▸ MMP2 P08253 4/20 0.41
▸ MMP8 P22894 4/20 0.41
▸ MMP12 P39900 3/20 0.41
▸ MMP14 P50281 3/20 0.41
▸ MMP16 P51512 3/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AVPR2 P30518 1/20 0.39
▸ GPR27 Q9NS67 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39

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
SCHEMBL28824902 0.90 PSEN1 (0.43) KMT2ALMNATDP1L3MBTL1FLT1
SCHEMBL6139230 0.90 PSEN1 (0.43) KMT2ALMNATDP1L3MBTL1FLT1
SCHEMBL26301826 0.90 ABCB11 (0.39) KMT2ALMNASMN1; SMN2POLBALDH1A1
SCHEMBL2169427 0.90 ABCB11 (0.39) KMT2ALMNASMN1; SMN2POLBALDH1A1
SCHEMBL28560399 0.90 ABCB11 (0.39) KMT2ALMNASMN1; SMN2POLBALDH1A1
SCHEMBL28555501 0.89 LMNA (0.42) KMT2ALMNAHTTPOLBALDH1A1
SCHEMBL23524 0.84 KMT2A (0.44) KMT2ALMNAHTTSMN1; SMN2CA2
SCHEMBL14141639 0.84 KMT2A (0.44) KMT2ALMNAHTTSMN1; SMN2CA2
SCHEMBL29993001 0.84 KMT2A (0.44) KMT2ALMNAHTTSMN1; SMN2CA2
SCHEMBL6139499 0.77 EPHX2 (0.39) KMT2ALMNAHTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928251-B Preparation method of high-purity clopidogrel 江苏天士力帝益药业有限公司 2021-05-04 — — CN claimed
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