SCHEMBL4056435

SCHEMBL4056435

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CS(=O)(=O)OC)N(S(=O)(=O)c4ccc(C)cc4)C3)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
REN P00797 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 4/20 0.33
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.31
FKBP1A P62942 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
SCHEMBL3935953 0.91 CYP2C9 (0.38) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3930886 0.91 CYP2C9 (0.36) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3935727 0.90 CASP3 (0.39) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3934977 0.90 CYP2C9 (0.37) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3929991 0.90 CYP2C9 (0.35) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3935732 0.90 CASP3 (0.39) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3930636 0.90 CYP2C9 (0.35) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3929981 0.89 POLB (0.39) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3938539 0.89 RORC (0.36) CYP2C9RENPOLBKMT2AMAPT
SCHEMBL3938542 0.89 RORC (0.36) CYP2C9RENPOLBKMT2AMAPT

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
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed