SCHEMBL4583769

SCHEMBL4583769

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.33
FKBP1A P62942 1/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.33
HSD11B1 P28845 1/20 0.32
TP53 P04637 1/20 0.32
REN P00797 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4583766 1.00 LMNA (0.34) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL5510122 0.95 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2921316 0.95 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2921320 0.95 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2921489 0.95 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2925030 0.95 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2914012 0.95 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2924793 0.95 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2922801 0.93 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT
SCHEMBL2918316 0.92 SMN1; SMN2 (0.34) LMNASMN1; SMN2ALDH1A1CYP2C9MAPT

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