SCHEMBL4583704

SCHEMBL4583704

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)(C)N)C[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
REN P00797 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 5/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 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
SCHEMBL1517823 0.94 REN (0.31) RENCYP2C9
SCHEMBL1517821 0.94 REN (0.31) RENCYP2C9
SCHEMBL1037150 0.93 LMNA (0.34) LMNASMN1; SMN2RENCYP2C9PKM
SCHEMBL2915854 0.92 CYP2C9 (0.34) LMNASMN1; SMN2RENCYP2C9PKM
SCHEMBL2924529 0.92 CYP2C9 (0.34) LMNASMN1; SMN2RENCYP2C9PKM
SCHEMBL1038932 0.92 CYP2C9 (0.35) LMNASMN1; SMN2CYP2C9PKMALDH1A1
SCHEMBL2915884 0.92 CYP2C9 (0.35) LMNASMN1; SMN2CYP2C9PKMALDH1A1
SCHEMBL2390299 0.92 REN (0.31) REN
SCHEMBL2390303 0.92 REN (0.31) REN
SCHEMBL1036293 0.91 CYP2C9 (0.35) LMNASMN1; SMN2RENCYP2C9PKM

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed