SCHEMBL4591664

SCHEMBL4591664

CC(C)(C)[Si](CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 5/20 0.41
AKR1B1 P15121 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HSD11B1 P28845 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 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
SCHEMBL13320021 0.85 MAPT (0.39) CYP2C19HIF1AMAPTKMT2ACYP2C9
SCHEMBL7344627 0.83 MAPT (0.38) CYP2C19HIF1AMAPTKMT2ACYP2C9
SCHEMBL6675595 0.81 CYP2C19 (0.40) CYP2C19HIF1AMAPTSMN1; SMN2CYP3A4
SCHEMBL8878189 0.78 HDAC3 (0.43) CYP2C19HIF1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22558165 0.78 MAPT (0.37) CYP2C19HIF1AMAPTCYP2C9CYP3A4
SCHEMBL28382255 0.78 MAPT (0.37) CYP2C19HIF1AMAPTCYP2C9CYP3A4
SCHEMBL8701181 0.77 CYP2C19 (0.38) CYP2C19HIF1AMAPTCES2CES1
SCHEMBL21834438 0.74 SLC13A5 (0.43) CYP2C19HIF1AMAPTKMT2AMEN1
SCHEMBL14770816 0.74 TP53 (0.35) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8056864 0.73 MAPT (0.33) CYP2C19HIF1AMAPTKMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
CN-117651699-A Compounds and compositions for the treatment of coronavirus related diseases 诺华股份有限公司 2024-03-05 CN disclosed
WO-2023002409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2023-01-26 WO disclosed
CN-109942560-A MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B 卫材R&D管理有限公司 2019-06-28 CN disclosed
CN-105683198-B Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B 卫材R&D管理有限公司 2019-03-12 CN disclosed
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 EP disclosed