SCHEMBL6139499

SCHEMBL6139499

COC(=O)[C@H](OS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSA P10619 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35

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
SCHEMBL5670976 0.88 KEAP1 (0.41) EPHX2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7494636 0.88 KEAP1 (0.41) EPHX2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28555501 0.82 LMNA (0.42) LMNAMEN1KMT2AMAPTHTT
SCHEMBL6139065 0.81 ENPP3 (0.43) EPHX2ABCB11GAA
SCHEMBL2169427 0.81 ABCB11 (0.39) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL26301826 0.81 ABCB11 (0.39) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28560399 0.81 ABCB11 (0.39) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28824902 0.79 PSEN1 (0.43) LMNAMEN1KMT2AABCB11ALDH1A1
SCHEMBL6139230 0.79 PSEN1 (0.43) LMNAMEN1KMT2AABCB11ALDH1A1
SCHEMBL6138912 0.78 MAPK1 (0.39) MAPTHTTABCB11ALDH1A1RAB9A

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
US-6894186-B2 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI-SYNTHELABO (FR) 2005-05-17 — — US claimed
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