SCHEMBL20033482

SCHEMBL20033482

CC(=O)c1ccc(OC(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
GSK3B P49841 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL1763294 0.78 LMNA (0.46) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL2145369 0.78 LMNA (0.48) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL17446874 0.77 LMNA (0.44) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL20239585 0.77 GSK3B (0.43) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL11450476 0.76 LMNA (0.47) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL3411329 0.74 LMNA (0.46) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL14997447 0.74 LMNA (0.46) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL2872059 0.73 GSK3B (0.67) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL13665361 0.73 LMNA (0.44) LMNATSHRGSK3BHDAC6ALDH1A1
SCHEMBL27261318 0.73 LMNA (0.44) LMNATSHRGSK3BHDAC6ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed