SCHEMBL9499366

SCHEMBL9499366

CCOC(=O)C(NC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(C)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.53
HIF1A Q16665 2/20 0.45
TSHR P16473 1/20 0.42
FABP4 P15090 8/20 0.41
FABP5 Q01469 8/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
IDH1 O75874 1/20 0.39
AXL P30530 1/20 0.37
RORC P51449 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
SCHEMBL9499726 0.91 SLC22A12 (0.56) SLC22A12HIF1ATSHRFABP4FABP5
SCHEMBL9363833 0.89 SLC22A12 (0.56) SLC22A12FABP4FABP5MEN1KMT2A
SCHEMBL9500262 0.85 HIF1A (0.43) SLC22A12HIF1ATSHRMEN1LMNA
SCHEMBL9499692 0.84 TSHR (0.44) SLC22A12HIF1ATSHRMEN1KMT2A
SCHEMBL9501420 0.83 SLC22A12 (0.56) SLC22A12HIF1ATSHRFABP4FABP5
SCHEMBL9367198 0.82 SLC22A12 (0.60) SLC22A12FABP4FABP5MEN1KMT2A
SCHEMBL9501130 0.82 SLC22A12 (0.57) SLC22A12HIF1AFABP4FABP5MEN1
SCHEMBL9363384 0.81 SLC22A12 (0.53) SLC22A12HIF1ATSHRFABP4FABP5
SCHEMBL9499252 0.81 SLC22A12 (0.39) SLC22A12HIF1ALMNAMAPTIDH1
SCHEMBL9368611 0.80 SLC22A12 (0.55) SLC22A12HIF1AFABP4FABP5AXL

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-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed