SCHEMBL6256752

SCHEMBL6256752

O=C(O)c1ccc(-c2ccccc2)cc1CSCCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.52
DCLRE1A Q6PJP8 1/20 0.52
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 6/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HNF4A P41235 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
MCL1 Q07820 1/20 0.42
PTGER4 P35408 1/20 0.42

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
SCHEMBL5863173 0.80 MRGPRX4 (0.53) FFAR1FFAR4MCL1NR4A2
SCHEMBL5863160 0.78 NR4A2 (0.53) FFAR1FFAR4RARBNR4A2
SCHEMBL5863212 0.77 PTGER1 (0.49) PTGER4NR4A2
SCHEMBL5863144 0.76 ALDH1A1 (0.49) ALDH1A1PTGER4
SCHEMBL5863189 0.76 NR4A2 (0.57) ALDH1A1NR4A2
SCHEMBL5863142 0.75 PKM (0.58) RARBNR4A2
SCHEMBL5863286 0.74 PTGER1 (0.47) ALDH1A1PTGER4
SCHEMBL6253221 0.74 FOLH1 (0.50) FFAR1FFAR4ALDH1A1PTGER4MMP3
SCHEMBL5863071 0.74 PKM (0.54) FFAR4ALDH1A1PTGER4RARBNR4A2
SCHEMBL5863125 0.74 CYP4F2 (0.45) FFAR1FFAR4ALDH1A1PTGER4NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP claimed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO claimed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed