SCHEMBL8097876

SCHEMBL8097876

Cc1ccc(S(=O)(=O)OC(C)OC(c2ccccc2)c2ccccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ESR1 P03372 1/20 0.41
CYP2D6 P10635 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6762680 0.79 VDR (0.46) KDM4ECYP2D6ALDH1A1CYP2C19CYP3A4
SCHEMBL9767627 0.77 GAA (0.46) ESR1ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL4669222 0.76 CYP2D6 (0.53) KDM4EPOLBCYP2D6ALDH1A1SLC22A2
SCHEMBL491994 0.74 VDR (0.45) KDM4ECYP2D6ALDH1A1CYP2C19CYP3A4
SCHEMBL11988007 0.74 VDR (0.45) KDM4ECYP2D6ALDH1A1CYP2C19CYP3A4
SCHEMBL5268174 0.73 ESR1 (0.75) KDM4EPOLBESR1CYP2D6SLC22A2
SCHEMBL890642 0.73 GAA (0.50) ESR1ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL8861461 0.73 GAA (0.42) ESR1CYP2D6ALDH1A1CYP2C19CYP3A4
SCHEMBL9475352 0.73 VDR (0.46) KDM4ECYP2D6ALDH1A1CYP2C19CYP3A4
SCHEMBL5145353 0.72 HTT (0.50) KDM4EESR1CYP2D6ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983222-A1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORPORATION (CA) 2000-03-08 EP disclosed
WO-1998052898-A9 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORP (CA) 1999-04-01 WO disclosed
WO-1998052898-A1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORPORATION (CA) 1998-11-26 WO disclosed