SCHEMBL12445186

SCHEMBL12445186

CC(C)(C)c1cc(CCc2ccccc2SCc2cc(C(C)(C)C)cc(-c3cccc4ccccc34)c2O)c(O)c(-c2cccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
AKR1B1 P15121 1/20 0.36
CYP2D6 P10635 2/20 0.34
LMNA P02545 2/20 0.34
NR1I2 O75469 1/20 0.34
ADRA2A P08913 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.34
HIF1A Q16665 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL10089343 0.94 EGFR (0.37) EGFRERBB2AKR1B1CYP2D6LMNA
SCHEMBL10089361 0.89 HIF1A (0.39) EGFRERBB2AKR1B1CYP2D6LMNA
SCHEMBL14471345 0.84 EGFR (0.34) EGFRERBB2CYP2D6LMNANR1I2
SCHEMBL10089371 0.83 CYP1A2 (0.39) CYP2D6LMNANR1I2ADRA2AACHE
SCHEMBL14471347 0.82 CYP2D6 (0.35) CYP2D6HIF1ACYP1A2CYP2C19CYP2C9
SCHEMBL2331853 0.81 CYP2D6 (0.38) CYP2D6LMNANR1I2ADRA2AACHE
SCHEMBL10089349 0.81 AKR1C3 (0.34) CYP2D6LMNANR1I2ADRA2AACHE
SCHEMBL10089355 0.80 GPR84 (0.38) EGFRERBB2CYP2D6LMNANR1I2
SCHEMBL10089390 0.80 AKR1C3 (0.35) CYP2D6LMNANR1I2ADRA2AACHE
SCHEMBL12445306 0.80 DHFR (0.35) EGFRERBB2AKR1B1LMNAPOLB

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
EP-2359930-A1 A polymer prepared in the presence of metal complexes bearing a polydentate heteroatom ligand Dow Global Technologies LLC (US) 2011-08-24 EP disclosed