SCHEMBL5572011

SCHEMBL5572011

CC1(C)CC2OC2CC1C(=O)OCC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
ADAM17 P78536 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.30
PDE1C Q14123 1/20 0.30
PPM1B O75688 1/20 0.30
PTPN1 P18031 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
SCHEMBL9491416 0.86 PPM1B (0.33) PPM1BPTPN1
SCHEMBL11283030 0.81 LMNA (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL11016268 0.73 CYP3A4 (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL466763 0.73 LMNA (0.37) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL4389785 0.73 LMNA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL14796418 0.67 SIGMAR1 (0.30)
SCHEMBL4004031 0.67 ALDH1A1 (0.40) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL11282546 0.66 LMNA (0.47) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL21243359 0.65 TP53 (0.60) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL14422655 0.65 LMNA (0.53) LMNACHRM2CHRM4CHRM5CHRM1

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-1864323-A1 REFRACTORY SOLID, ADHESIVE COMPOSITION, AND DEVICE, AND ASSOCIATED METHOD General Electric Company (US) 2007-12-12 EP disclosed
WO-2006107660-A1 REFRACTORY SOLID, ADHESIVE COMPOSITION, AND DEVICE, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2006-10-12 WO disclosed