SCHEMBL3916692

SCHEMBL3916692

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
RORC P51449 8/20 0.33
CYP2C9 P11712 1/20 0.33
POLB P06746 1/20 0.33
REN P00797 1/20 0.32
PAX8 Q06710 4/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3916695 1.00 KMT2A (0.34) KMT2ARORCCYP2C9POLBREN
SCHEMBL1038040 0.94 KMT2A (0.36) KMT2ARORCCYP2C9POLBREN
SCHEMBL1037800 0.91 PKM (0.39) KMT2ACYP2C9POLBRENALDH1A1
SCHEMBL1036350 0.90 KMT2A (0.37) KMT2ARORCCYP2C9POLBREN
SCHEMBL3908950 0.90 RORC (0.32) KMT2ARORCPOLBREN
SCHEMBL2683450 0.88 LMNA (0.38) KMT2ARORCCYP2C9POLBREN
SCHEMBL3905612 0.86 POLB (0.38) KMT2ARORCCYP2C9POLBREN
SCHEMBL3902379 0.85 RORC (0.32) RORCREN
SCHEMBL3907620 0.85 PKM (0.39) KMT2ACYP2C9POLBRENALDH1A1
SCHEMBL3905192 0.84 PKM (0.39) KMT2ACYP2C9POLBRENALDH1A1

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