SCHEMBL28555501

SCHEMBL28555501

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TCF4 P15884 1/20 0.36
▸ CTNNB1 P35222 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
SCHEMBL6139230 0.91 PSEN1 (0.43) LMNAKMT2AALDH1A1KDM4EABCB11
SCHEMBL28824902 0.91 PSEN1 (0.43) LMNAKMT2AALDH1A1KDM4EABCB11
SCHEMBL2169427 0.91 ABCB11 (0.39) LMNAKMT2AALDH1A1MAPTCASP1
SCHEMBL28560399 0.91 ABCB11 (0.39) LMNAKMT2AALDH1A1MAPTCASP1
SCHEMBL26301826 0.91 ABCB11 (0.39) LMNAKMT2AALDH1A1MAPTCASP1
SCHEMBL28566525 0.89 GCKR (0.44) LMNAHTTKMT2AALDH1A1POLB
SCHEMBL5673248 0.87 KMT2A (0.41) LMNAHTTKMT2AALDH1A1CASP1
SCHEMBL5672253 0.87 KMT2A (0.41) LMNAHTTKMT2AALDH1A1CASP1
SCHEMBL14141639 0.85 KMT2A (0.44) LMNAHTTKMT2AALDH1A1MAPT
SCHEMBL23524 0.85 KMT2A (0.44) LMNAHTTKMT2AALDH1A1MAPT

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
Send feedback