SCHEMBL3876337

SCHEMBL3876337

CC1=CC(C)C(C=O)(C(=O)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
CTNNB1 P35222 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3019786 0.82
SCHEMBL14907004 0.82
SCHEMBL3012776 0.75 ALOX15 (0.31) ALOX15CTNNB1
SCHEMBL27540801 0.73 ALOX15 (0.33) ALOX15CTNNB1
SCHEMBL19899235 0.73
SCHEMBL6871674 0.72
SCHEMBL3023523 0.69
SCHEMBL3017263 0.68
Anthranilic Acid SCHEMBL30656019 0.68 KDM4E (0.36) ALDH1A1POLB
Anthranilic Acid SCHEMBL29088836 0.68 KDM4E (0.36) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924544-B1 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2009-01-14 EP disclosed
EP-1926531-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2008-06-04 EP disclosed
EP-1924544-A1 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT Givaudan SA (CH) 2008-05-28 EP disclosed
WO-2007033508-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2007-03-29 WO disclosed
WO-2007030967-A1 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2007-03-22 WO disclosed
CN-1271959-C Composition for deodorizing tobacco odor, agent for deodorizing tobacco odor, and cigarette and tobacco pack with reduced sidestream smoke odor JAPAN TOBACCO INC (JP) 2006-08-30 CN disclosed
CN-1473011-A Deodorant composition for tobacco odor, deodorant for tobacco odor, and cigarette and tobacco package reduced in secondary smoke odor �ձ��̲ݲ�ҵ��ʽ���� 2004-02-04 CN disclosed