SCHEMBL3774754

SCHEMBL3774754

O=C1SC(OCCOc2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
THRB P10828 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.48
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ENPP2 Q13822 1/20 0.39
EP300 Q09472 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL6032173 0.81 MAPT (0.54) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8659796 0.78 MAPT (0.43) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8523889 0.78 POLB (0.47) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL7469304 0.77 POLB (0.55) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8687366 0.77 POLB (0.44) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8689551 0.76 POLB (0.41) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8524317 0.75 FFAR1 (0.44) MAPTTHRBGAAPOLBKMT2A
SCHEMBL8687106 0.75 PTPN1 (0.39) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8472017 0.75 POLB (0.45) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8333731 0.75 PPARG (0.46) MAPTTHRBGAAPOLBALDH1A1

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