SCHEMBL16573167

SCHEMBL16573167

C[C@H]1C[C@@H](Cc2ccccc2)C(=O)OCCC(=S)O1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
FASN P49327 1/20 0.36
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
CTRB1 P17538 1/20 0.34
ABCB1 P08183 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GRM2 Q14416 1/20 0.32
RAB9A P51151 1/20 0.32
CYP19A1 P11511 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL14159890 0.87 MAOB (0.39) MAOBDDB1CRBNFASNF2
SCHEMBL14159750 0.87 MAOB (0.39) MAOBDDB1CRBNFASNF2
SCHEMBL14159784 0.87 MAOB (0.39) MAOBDDB1CRBNFASNF2
SCHEMBL14159746 0.87 MAOB (0.39) MAOBDDB1CRBNFASNF2
SCHEMBL18699092 0.85 MAOB (0.40) MAOBDDB1CRBNFASNF2
SCHEMBL14159745 0.80 GAA (0.43) MAOBDDB1CRBNFASNF2
SCHEMBL21850372 0.80 GAA (0.43) MAOBDDB1CRBNFASNF2
SCHEMBL14159689 0.78 MAOB (0.41) MAOBDDB1CRBNFASNF2
SCHEMBL19798262 0.74 MAOB (0.37) MAOBDDB1CRBNF2PRSS1
SCHEMBL17012294 0.72 CACNA1G (0.39) RAB9A

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-2848616-A1 Derivatives of UK-2A Dow AgroSciences LLC (US) 2015-03-18 EP disclosed