SCHEMBL22238915

SCHEMBL22238915

CNC(C)(O)C(C)(C)OBc1ccc(O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ PDK1 Q15118 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ PDK3 Q15120 1/20 0.30
▸ PDK4 Q16654 1/20 0.30

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
SCHEMBL22924380 0.69 PDE2A (0.30) —
SCHEMBL23638849 0.69 PPARG (0.33) PDK1PDK2PDK3PDK4
SCHEMBL14824906 0.67 — —
SCHEMBL257926 0.65 ESR1 (0.41) ADRA2AADRA2BADRA2C
SCHEMBL21742988 0.65 ALDH1A1 (0.31) —
SCHEMBL23692800 0.65 KDM4E (0.33) —
SCHEMBL24525250 0.62 — —
SCHEMBL17432855 0.60 LOXL2 (0.32) —
SCHEMBL24727549 0.60 TP53 (0.35) —
SCHEMBL20096076 0.59 PKM (0.33) PDK2PDK4

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
EP-3372596-B1 PREPARATION METHOD FOR TEDIZOLID, TEDIZOLID INTERMEDIATE, AND PREPARATION METHOD THEREFOR ZHEJIANG HUAHAI PHARM CO LTD (CN) 2020-07-22 — — EP disclosed
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