SCHEMBL3129248

SCHEMBL3129248

CC(C)(C)[Si](C)(C)Oc1ccccc1C=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
NFE2L2 Q16236 2/20 0.46
TFEB P19484 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NFKB1 P19838 1/20 0.46
CA4 P22748 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL3129242 1.00 HTT (0.55) HTTGAASMN1; SMN2PTGER1PTGER4
SCHEMBL3126052 0.87 NFE2L2 (0.45) HTTGAASMN1; SMN2NFE2L2TFEB
SCHEMBL3126050 0.87 NFE2L2 (0.45) HTTGAASMN1; SMN2NFE2L2TFEB
SCHEMBL3129598 0.86 NFE2L2 (0.44) HTTGAASMN1; SMN2NFE2L2TFEB
SCHEMBL3129600 0.86 NFE2L2 (0.44) HTTGAASMN1; SMN2NFE2L2TFEB
SCHEMBL22032605 0.85 KDM4E (0.46) HTTGAASMN1; SMN2MAPTLMNA
SCHEMBL690962 0.84 HTT (0.61) HTTGAASMN1; SMN2PTGER1PTGER4
SCHEMBL3606823 0.83 NFE2L2 (0.47) HTTGAASMN1; SMN2PTGER1PTGER4
SCHEMBL3606819 0.83 NFE2L2 (0.47) HTTGAASMN1; SMN2PTGER1PTGER4
SCHEMBL3605646 0.79 NFE2L2 (0.51) NFE2L2TFEBMAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 EP disclosed
US-6956013-B2 Photo-activated pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2005-10-18 US disclosed
US-20040087454-A1 Photo-activated pro-fragrances PROCTER & GAMBLE COMPANY, THE 2004-05-06 US disclosed
EP-1377538-A1 PHOTO-ACTIVATED PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2004-01-07 EP disclosed
US-20030004072-A1 Photo-activated pro-fragrances THE PROCTER & GAMBLE COMPANY 2003-01-02 US disclosed
WO-2002083620-A1 PHOTO-ACTIVATED PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2002-10-24 WO 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-0936211-A2 Aryl-acrylic acid esters useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 1999-08-18 EP disclosed