SCHEMBL7054954

SCHEMBL7054954

CC(C)(C)OC(=O)CNC1CCCC(=S)C1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CXCR4 P61073 1/20 0.33
▸ HSD11B2 P80365 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PTPRC P08575 2/20 0.31
▸ ABCB1 P08183 1/20 0.30
▸ CCKBR P32239 1/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 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
SCHEMBL8046621 0.78 BBOX1 (0.31) —
SCHEMBL2772788 0.73 HRH3 (0.34) HRH3HSD11B2ALDH1A1KMT2APTPRC
SCHEMBL11122150 0.70 BTK (0.36) HRH3HSD11B2GAAALDH1A1KMT2A
SCHEMBL5370358 0.70 HSD11B2 (0.37) HRH3HSD11B2ALDH1A1KMT2APTPRC
SCHEMBL11366947 0.70 BTK (0.45) HRH3GAAKMT2AMEN1
SCHEMBL7277999 0.70 EPHX1 (0.46) HRH3GAAALDH1A1KMT2AMEN1
SCHEMBL23759208 0.69 HRH3 (0.39) HRH3ALDH1A1
SCHEMBL7380787 0.69 EPHX1 (0.38) HRH3HSD11B2GAAALDH1A1KMT2A
SCHEMBL11373425 0.68 EPHX1 (0.49) GAAKMT2AMEN1
SCHEMBL2547400 0.68 EPHX1 (0.49) GAAKMT2AMEN1

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
EP-0979816-B1 Hydroxamic acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 — — EP disclosed
EP-0979816-A1 Hydroxamic acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-02-16 — — EP disclosed
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