SCHEMBL8258545

SCHEMBL8258545

CCCCOC(=O)N1C2CCCC1CC(C)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.36
HPGD P15428 2/20 0.35
GBA2 Q9HCG7 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL8259202 0.94 LMNA (0.43) CHRM1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL12199159 0.87 LMNA (0.45) CHRM1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL12131804 0.85 CHRM1 (0.53) CHRM1ALDH1A1CHRM2
SCHEMBL13176007 0.84 SMN1; SMN2 (0.38) CHRM1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL12199020 0.84 CHRM1 (0.43) CHRM1CHRM2CHRM3
SCHEMBL21712561 0.81 SMN1; SMN2 (0.45) CHRM1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL29461904 0.81 MAPK1 (0.42) CHRM1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL30532513 0.80 LMNA (0.42) CHRM1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL30068327 0.80 LMNA (0.42) CHRM1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL12086277 0.80 LMNA (0.42) CHRM1POLBLMNASMN1; SMN2ALDH1A1

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-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 WO disclosed