SCHEMBL21986231

SCHEMBL21986231

CO[Si](CCCC=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)O)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD11B1 P28845 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 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
SCHEMBL20604832 0.88 ALDH1A1 (0.41) ALDH1A1RECQLKMT2AMAPTCYP3A4
SCHEMBL28575031 0.87 ALDH1A1 (0.40) ALDH1A1RECQLKMT2AMAPTCYP3A4
SCHEMBL28268849 0.79 ALDH1A1 (0.51) ALDH1A1RECQLKMT2AMAPTCYP3A4
SCHEMBL21980345 0.78 ALDH1A1 (0.46) ALDH1A1RECQLKMT2AMAPTCYP3A4
SCHEMBL20608661 0.77 ALDH1A1 (0.39) ALDH1A1RECQLKMT2AMAPTCYP3A4
SCHEMBL29212200 0.74 POLB (0.42) ALDH1A1RECQLKMT2AMAPTCYP3A4
SCHEMBL17239651 0.73 ALDH1A1 (0.65) ALDH1A1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL21986230 0.71 ALDH1A1 (0.43) ALDH1A1RECQLKMT2AMAPTHSD11B1
SCHEMBL21980256 0.71 ALDH1A1 (0.43) ALDH1A1RECQLKMT2AMAPTCYP3A4
SCHEMBL924405 0.66 ALDH1A1 (0.69) ALDH1A1RECQLKMT2AMAPTCYP3A4

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