SCHEMBL14159784

SCHEMBL14159784

CC1C[C@@H](Cc2ccccc2)C(=O)OCCC(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CTRB1 P17538 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
FASN P49327 1/20 0.35
HSD11B1 P28845 1/20 0.35
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
GRM2 Q14416 1/20 0.33
ACE P12821 1/20 0.33

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 1.00 MAOB (0.39) MAOBDDB1CRBNCTRB1F2
SCHEMBL14159746 1.00 MAOB (0.39) MAOBDDB1CRBNCTRB1F2
SCHEMBL14159890 1.00 MAOB (0.39) MAOBDDB1CRBNCTRB1F2
SCHEMBL19798262 0.87 MAOB (0.37) MAOBDDB1CRBNCTRB1F2
SCHEMBL18699092 0.87 MAOB (0.40) MAOBDDB1CRBNCTRB1F2
SCHEMBL16573167 0.87 MAOB (0.37) MAOBDDB1CRBNCTRB1F2
SCHEMBL14159745 0.82 GAA (0.43) MAOBDDB1CRBNCTRB1F2
SCHEMBL21850372 0.82 GAA (0.43) MAOBDDB1CRBNCTRB1F2
SCHEMBL14159689 0.77 MAOB (0.41) MAOBDDB1CRBNCTRB1F2
SCHEMBL18698981 0.77 CA1 (0.40) CA1CA9MAPT

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-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed