SCHEMBL11207490

SCHEMBL11207490

CC(C)(C)OC(=O)Nc1nc([C@@H](NS(C)(=O)=O)C(=O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PI4KB Q9UBF8 1/20 0.39
PTPRB P23467 3/20 0.38
CCR2 P41597 3/20 0.37
SIRT1 Q96EB6 1/20 0.36
LCK P06239 4/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
METAP1 P53582 1/20 0.34

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
SCHEMBL11207437 0.88 CA1 (0.40) CA1CA2PI4KBPTPRBCCR2
SCHEMBL11205053 0.87 CA1 (0.40) CA1CA2PI4KBPTPRBCCR2
SCHEMBL22017475 0.87 PI4KB (0.42) CA1CA2PI4KBPTPRBCCR2
SCHEMBL11204633 0.87 PI4KB (0.42) CA1CA2PI4KBPTPRBCCR2
SCHEMBL11202473 0.85 PI4KB (0.39) CA1CA2PI4KBPTPRBCCR2
SCHEMBL11071626 0.82 PI4KB (0.39) CA1CA2PI4KBPTPRBCCR2
SCHEMBL11081890 0.82 PI4KB (0.39) CA1CA2PI4KBPTPRBCCR2
SCHEMBL11072639 0.82 PI4KB (0.39) CA1CA2PI4KBPTPRBCCR2
SCHEMBL11207574 0.82 LMNA (0.48) CA1CA2PTPRB
SCHEMBL11208641 0.81 CA1 (0.52) CA1CA2PI4KBPTPRB

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-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP disclosed