SCHEMBL7542669

SCHEMBL7542669

CC(C)CC(=O)N1CCC[C@H]1COS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HCRTR2 O43614 11/20 0.41
XPNPEP1 Q9NQW7 1/20 0.39
CYP2D6 P10635 2/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PREP P48147 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL22296756 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6DPP4DPP8DPP9
SCHEMBL22900003 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6DPP4DPP8DPP9
SCHEMBL26997900 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HCRTR2XPNPEP1CYP2D6DPP4
SCHEMBL9676526 0.81 SMN1; SMN2 (0.42) SMN1; SMN2HCRTR2CYP2D6DPP4DPP8
SCHEMBL9675632 0.81 SMN1; SMN2 (0.42) SMN1; SMN2HCRTR2CYP2D6DPP4DPP8
SCHEMBL3973116 0.81 RAB9A (0.57) HCRTR2XPNPEP1RAB9A
SCHEMBL2546757 0.80 POLB (0.41) HCRTR2XPNPEP1DPP4POLBL3MBTL1
SCHEMBL793131 0.80 POLB (0.41) HCRTR2XPNPEP1DPP4POLBL3MBTL1
SCHEMBL2788731 0.80 POLB (0.41) HCRTR2XPNPEP1DPP4POLBL3MBTL1
SCHEMBL7541055 0.79 HCRTR2 (0.39) HCRTR2DPP4DPP7POLBL3MBTL1

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed