SCHEMBL22282983

SCHEMBL22282983

COCCOC(=N)CC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL17075837 0.78 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL410988 0.77 GAA (0.56) MGAMGAASIMGAM2TSHR
SCHEMBL20725000 0.77 ALDH1A1 (0.56) TSHRALDH1A1
SCHEMBL4057076 0.75
Hydrochloric Acid SCHEMBL4057071 0.73 ALDH1A1 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL12727528 0.72 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL3914017 0.72 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL10354582 0.72 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL5827878 0.71 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL16474057 0.71

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-3688052-A1 ACTIVATOR FOR ACCELERATED ADHESION DEVELOPMENT Sika Technology AG (CH) 2020-08-05 EP disclosed