SCHEMBL4037416

SCHEMBL4037416

Cc1ccc(Oc2cccc(SC(C)(C)C(=O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
CYP2C9 P11712 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
AKR1C3 P42330 1/20 0.40
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPARA Q07869 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3484397 0.85 FFAR4 (0.41) HTTTDP1L3MBTL1FFAR4FFAR1
SCHEMBL27347338 0.79 SLC22A12 (0.43) TDP1SMN1; SMN2PPARASLC22A12
SCHEMBL4040746 0.75 PPARG (0.55) HTTTDP1L3MBTL1FFAR4FFAR1
SCHEMBL13047065 0.74 HTT (0.50) HTTTDP1L3MBTL1FFAR4FFAR1
SCHEMBL3381395 0.72 CA12 (0.41) SMN1; SMN2CYP1A2HSD17B1HSD17B2PPARA
SCHEMBL11538993 0.72 PPARA (0.51) CYP1A2CYP2C19PPARAALDH1A1SLC22A12
SCHEMBL2867826 0.71 AKR1C3 (0.77) HTTTDP1L3MBTL1CYP2C9NPC1
SCHEMBL15085780 0.71 SMN1; SMN2 (0.60) HTTTDP1L3MBTL1FFAR4FFAR1
SCHEMBL3150010 0.71 SLC22A12 (0.50) FFAR1PPARAALDH1A1SLC22A12
Bicarbonate SCHEMBL1886282 0.71 SMN1; SMN2 (0.66) HTTTDP1FFAR1NPC1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed