SCHEMBL21986230

SCHEMBL21986230

CCC(/C=C(\CS(=O)(=O)c1ccc(C)cc1)C(=O)O)[Si](OC)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 4/20 0.39
HSD11B1 P28845 1/20 0.39
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL20604831 0.89 ALDH1A1 (0.42) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL21980344 0.79 ALDH1A1 (0.47) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL28268849 0.71 ALDH1A1 (0.51) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL21986231 0.71 ALDH1A1 (0.43) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL28450252 0.68 ALDH1A1 (0.43) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL20604832 0.68 ALDH1A1 (0.41) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL8572063 0.67 ALDH1A1 (0.61) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL28575031 0.67 ALDH1A1 (0.40) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL924405 0.66 ALDH1A1 (0.69) ALDH1A1RECQLKMT2AHSD11B1CA2
SCHEMBL516393 0.65 APEX1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4124331-A1 AESTHETIC DENTAL FILLING MATERIAL WITH HIGH CURING DEPTH Ivoclar Vivadent AG (LI) 2023-02-01 EP claimed
EP-3659575-A1 PHOTOPOLYMERISABLE DENTAL COMPOSITES WITH FAST CURING AND LOW SHRINKAGE STRESS Ivoclar Vivadent AG (LI) 2020-06-03 EP claimed
EP-3659575-A1 PHOTOPOLYMERISABLE DENTAL COMPOSITES WITH FAST CURING AND LOW SHRINKAGE STRESS Ivoclar Vivadent AG (LI) 2020-06-03 EP disclosed