SCHEMBL6676879

SCHEMBL6676879

CC=C(C(=O)OC)C(N)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31

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
Chloromethane SCHEMBL653586 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL41569 0.76 ALDH1A1 (0.33) DPP4ALDH1A1
Hydrochloric Acid SCHEMBL27840286 0.74 ALDH1A1 (0.32) DPP4ALDH1A1
SCHEMBL10716108 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6681152 0.71 DPP4 (0.35) DPP4ALDH1A1MAPTPTGS1
Acetic Acid SCHEMBL10620672 0.71 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL1033174 0.71 GRIK1 (0.35) DPP4ALDH1A1
SCHEMBL500460 0.70 SMN1; SMN2 (0.42) DPP4ALDH1A1MAPTPTGS1
SCHEMBL20879474 0.70 SMN1; SMN2 (0.42) DPP4ALDH1A1MAPTPTGS1
SCHEMBL16160201 0.70 ALDH1A1 (0.36) ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173230-B1 METHOD FOR TREATING AND MAINTAINING FLOORS WITH DISINFECTANT ECOLAB INC (US) 2003-08-20 EP claimed
WO-2004048506-A1 DYE TRANSFER INHIBITORS FOR LAUNDRY DETERGENTS THE LUBRIZOL CORPORATION (US) 2004-06-10 WO disclosed