Sugi Predict

Sugi Predict / Compounds / SCHEMBL3908950

SCHEMBL3908950

SCHEMBL3908950

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H]3c3ccc(OCCC[C@@H](C)OC)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ REN P00797 2/20 0.31
▸ POLB P06746 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
SCHEMBL3902379 0.96 RORC (0.32) RORCREN
SCHEMBL3908167 0.90 REN (0.37) KMT2ARENPOLB
SCHEMBL3916695 0.90 KMT2A (0.34) RORCKMT2ARENPOLB
SCHEMBL3916692 0.90 KMT2A (0.34) RORCKMT2ARENPOLB
SCHEMBL1038040 0.84 KMT2A (0.36) RORCKMT2ARENPOLB
SCHEMBL3908955 0.82 REN (0.31) RORCREN
SCHEMBL3908957 0.82 REN (0.31) RORCREN
SCHEMBL1037800 0.81 PKM (0.39) KMT2ARENPOLB
SCHEMBL3905612 0.81 POLB (0.38) RORCKMT2ARENPOLB
SCHEMBL1036350 0.80 KMT2A (0.37) RORCKMT2ARENPOLB

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-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 — — EP disclosed