SCHEMBL5741841

SCHEMBL5741841

CC1(C)CCc2c(sc3cc(OC(=O)O)ccc3c2=O)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.33
FABP5 Q01469 5/20 0.33
SLC34A2 O95436 3/20 0.32
KIF11 P52732 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
LIMK1 P53667 1/20 0.32
RAB7A P51149 1/20 0.31
PRNP P04156 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
PPARG P37231 1/20 0.30
HTT P42858 1/20 0.30
MAPK10 P53779 1/20 0.30
NCOA2 Q15596 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL5742423 0.84 LMNA (0.35) FABP4FABP5SLC34A2KIF11PDE4B
SCHEMBL6656583 0.83 ACHE (0.35) SLC34A2
SCHEMBL5741839 0.82 RXRA (0.37) FABP4FABP5SLC34A2KIF11PDE4B
SCHEMBL5741790 0.81 KIF11 (0.31) KIF11
SCHEMBL6689646 0.81 PTGS2 (0.39) MAPK1HTT
SCHEMBL5740952 0.81 KIF11 (0.41) SLC34A2KIF11TSHRMAPK1NPSR1
SCHEMBL5739761 0.80 ACHE (0.37) SLC34A2KIF11TSHRMAPK1NPSR1
SCHEMBL5740682 0.80 PTGS2 (0.38) TSHRMAPK1HTTNPSR1
SCHEMBL5740285 0.80 CYP26A1 (0.40) FABP4FABP5SLC34A2KIF11TSHR
SCHEMBL5740233 0.78 LIMK1 (0.40) FABP4FABP5KIF11PDE4BPDE4D

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-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO disclosed