SCHEMBL4582999

SCHEMBL4582999

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 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
SCHEMBL1517772 0.94
SCHEMBL2925840 0.94 SMN1; SMN2 (0.35) LMNASMN1; SMN2CYP2C9ALDH1A1PKM
SCHEMBL2387106 0.92
SCHEMBL4583704 0.91 LMNA (0.33) LMNASMN1; SMN2CYP2C9ALDH1A1PKM
SCHEMBL1036444 0.91 LMNA (0.33) LMNASMN1; SMN2CYP2C9ALDH1A1PKM
SCHEMBL2924529 0.90 CYP2C9 (0.34) LMNASMN1; SMN2CYP2C9ALDH1A1PKM
SCHEMBL2915854 0.90 CYP2C9 (0.34) LMNASMN1; SMN2CYP2C9ALDH1A1PKM
SCHEMBL1038932 0.89 CYP2C9 (0.35) LMNASMN1; SMN2CYP2C9ALDH1A1PKM
SCHEMBL2915884 0.89 CYP2C9 (0.35) LMNASMN1; SMN2CYP2C9ALDH1A1PKM
SCHEMBL1040944 0.89 LMNA (0.33) LMNASMN1; SMN2CYP2C9ALDH1A1PKM

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