SCHEMBL18699092

SCHEMBL18699092

C=C1CCOC(=O)[C@H](Cc2ccccc2)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
CTRB1 P17538 1/20 0.34
HSD11B1 P28845 2/20 0.34
FASN P49327 1/20 0.33
CYP19A1 P11511 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
GRM2 Q14416 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
SCHEMBL14159750 0.87 MAOB (0.39) MAOBDDB1CRBNF2PRSS1
SCHEMBL14159784 0.87 MAOB (0.39) MAOBDDB1CRBNF2PRSS1
SCHEMBL14159890 0.87 MAOB (0.39) MAOBDDB1CRBNF2PRSS1
SCHEMBL14159746 0.87 MAOB (0.39) MAOBDDB1CRBNF2PRSS1
SCHEMBL16573167 0.85 MAOB (0.37) MAOBDDB1CRBNF2PRSS1
SCHEMBL21850372 0.80 GAA (0.43) MAOBDDB1CRBNF2PRSS1
SCHEMBL14159745 0.80 GAA (0.43) MAOBDDB1CRBNF2PRSS1
SCHEMBL19798262 0.80 MAOB (0.37) MAOBDDB1CRBNF2PRSS1
SCHEMBL21022868 0.76
SCHEMBL14159689 0.75 MAOB (0.41) MAOBDDB1CRBNF2PRSS1

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-3150595-A1 DERIVATIVES OF UK-2A DOW AGROSCIENCES LLC (US) 2017-04-05 EP disclosed