SCHEMBL3129598

SCHEMBL3129598

CC(C)(C)[Si](C)(C)OC(=O)/C=C/c1ccccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.44
TFEB P19484 1/20 0.44
KDM4E B2RXH2 6/20 0.43
LY96 Q9Y6Y9 1/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.40
BACE1 P56817 1/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1B1 Q16678 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL3129600 1.00 NFE2L2 (0.44) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL3129248 0.86 HTT (0.55) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL3129242 0.86 HTT (0.55) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL3126052 0.84 NFE2L2 (0.45) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL3126050 0.84 NFE2L2 (0.45) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL8446480 0.78 KDM4E (0.36) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL8446479 0.78 KDM4E (0.36) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL3606819 0.78 NFE2L2 (0.47) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL3606823 0.78 NFE2L2 (0.47) NFE2L2TFEBKDM4ELY96MAPT
SCHEMBL3605646 0.76 NFE2L2 (0.51) NFE2L2TFEBKDM4ELY96MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014041362-A1 UV RADIATION CLEAVABLE COMPOUNDS UNIVERSITY OF BATH (GB) 2014-03-20 WO disclosed
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 EP disclosed
EP-0952142-B1 Compounds with protected hydroxy groups GIVAUDAN SA (CH) 2006-10-18 EP disclosed
US-6627763-B2 As precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents GIVAUDAN SA 2003-09-30 US disclosed
US-20020193269-A1 Compounds having protected hydroxy groups GIVAUDAN SA, A SWITZERLAND CORPORATION 2002-12-19 US disclosed
US-6479682-B1 Compounds having protected hydroxy groups GIVAUDAN SA (CH) 2002-11-12 US disclosed
US-6437150-B1 WHEN ACTIVATED, THE ESTERS, CARBONATES, OR CARBAMATES ARE CLEAVED TO FORM ONE OR MORE LACTONES AND ORGANOLEPTICS SUCH AS FRAGRANCES, OR MASKING AGENTS, OR ANTIMICROBIAL AGENTS; STABLE UNDER TRANSPORT AND STORAGE CONDITIONS GIVAUDAN SA (CH) 2002-08-20 US disclosed
US-6096918-A USEFUL FOR THE DELIVERY OF ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES, MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS. THEY CAN ALSO DELIVER FLUORESCENT WHITENING AGENTS. GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-08-01 US disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed
EP-0936211-A2 Aryl-acrylic acid esters useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 1999-08-18 EP disclosed