SCHEMBL3774750

SCHEMBL3774750

CC(Oc1ccccc1)OC1SC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
THRB P10828 2/20 0.46
TP53 P04637 1/20 0.42
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL7469304 0.78 POLB (0.55) POLBMAPTGAATHRBTP53
SCHEMBL6032173 0.76 MAPT (0.54) POLBMAPTGAATHRBTP53
SCHEMBL3774754 0.74 MAPT (0.50) POLBMAPTGAATHRBTP53
SCHEMBL2085262 0.73 MAPT (0.40) POLBMAPTGAATHRBTP53
SCHEMBL9545693 0.73 MAPT (0.42) POLBMAPTGAATHRBTP53
SCHEMBL1269268 0.72 MAPT (0.41) POLBMAPTGAATHRBTP53
SCHEMBL8857706 0.70 KMT2A (0.52) POLBMAPTGAATHRBALDH1A1
SCHEMBL8679131 0.68 MAPT (0.41) POLBMAPTGAATHRBTP53
SCHEMBL28259783 0.68 POLB (0.63) POLBMAPTGAATHRBTP53
SCHEMBL8523889 0.66 POLB (0.47) POLBMAPTGAATHRBTP53

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-2451455-A2 RXR AGONIST COMPOUNDS AND METHODS Case Western Reserve University (US) 2012-05-16 EP claimed