SCHEMBL9735825

SCHEMBL9735825

CC(C)(C)[Si](OC[C@@H](O)C[C@@H](O)CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HMGCR P04035 2/20 0.34
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29064066 0.93 MMP12 (0.37) MMP12MMP13MMP2MMP9MMP14
SCHEMBL9735944 0.93 MMP12 (0.37) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3898515 0.87 PTPRC (0.36) ADRB2ADRB1ADRB3
SCHEMBL24312400 0.84 CYP2D6 (0.38) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL9736771 0.83 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL7155286 0.82 CYP2D6 (0.37) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL9523633 0.82 GAA (0.36) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL8122701 0.82 GAA (0.36) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL8122702 0.82 GAA (0.36) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL14481513 0.82 FFAR1 (0.38) CYP3A4HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752407-B1 Crystalline rosuvastatin calcium trihydrate KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2015-09-23 EP disclosed
EP-2752407-A1 Crystalline rosuvastatin calcium trihydrate Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2014-07-09 EP disclosed
EP-2387566-B1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-05-07 EP disclosed
US-5093363-A Antilipemic agents SHIONOGI & CO., LTD. (JP) 1992-03-03 US disclosed
EP-0414206-A2 2,4,6-Substituted phenol derivatives SHIONOGI & CO., LTD. (JP) 1991-02-27 EP disclosed