SCHEMBL5334246

SCHEMBL5334246

CCC(O)CCn1ccnn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
CYP19A1 P11511 14/20 0.37
PADI4 Q9UM07 2/20 0.34
FOLH1 Q04609 1/20 0.34
CYP1A1 P04798 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
SCHEMBL2185354 0.83 FFAR4 (0.38) DPP4CYP19A1
SCHEMBL3808952 0.82 DPP4 (0.43) DPP4CYP19A1PADI4FOLH1CYP1A1
SCHEMBL13108584 0.81 CYP19A1 (0.46) CYP19A1FOLH1CYP1A1
SCHEMBL12020414 0.81 CYP19A1 (0.46) CYP19A1FOLH1CYP1A1
SCHEMBL2401004 0.81 CYP19A1 (0.46) CYP19A1FOLH1CYP1A1
SCHEMBL26786182 0.79 DPP4 (0.41) DPP4CYP19A1PADI4FOLH1
Hydrochloric Acid SCHEMBL8902099 0.79 CYP19A1 (0.45) CYP19A1FOLH1CYP1A1
SCHEMBL15447136 0.76 DPP4 (0.44) DPP4CYP19A1PADI4FOLH1CYP1A1
SCHEMBL15777948 0.74 CYP19A1 (0.44) CYP19A1FOLH1CYP1A1
SCHEMBL20333043 0.74 DPP4 (0.43) DPP4CYP19A1PADI4FOLH1CYP1A1

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
WO-2007014012-A2 COMPOSITIONS AND METHODS FOR WOOD PRESERVATION OSMOSE, INC. (US) 2007-02-01 WO disclosed