SCHEMBL901183

SCHEMBL901183

CC/C=C1\OC(=O)c2ccccc21.CC/C=C1\OC(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
TSHR P16473 1/20 1.00
MAPK1 P28482 1/20 1.00
TRPA1 O75762 1/20 0.73
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX15 P16050 1/20 0.50

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
SCHEMBL30234042 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL317445 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL17211775 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL873948 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
SCHEMBL31751764 1.00 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL30268972 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL29372485 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL290483 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL290482 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E
Z-Butylidenephthalide SCHEMBL28057404 0.85 TRPA1 (1.00) ALDH1A1TSHRMAPK1TRPA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365418-A2 PARTICLES FOR MALODOR REDUCTION The Procter and Gamble Company (US) 2018-08-29 EP disclosed
EP-3197423-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197511-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197426-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197424-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197508-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197422-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS The Procter & Gamble Company (US) 2017-08-02 EP disclosed
WO-2017070131-A2 PARTICLES FOR MALODOR REDUCTION THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
WO-2017070132-A1 ARRAY OF FABRIC TREATMENT PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
WO-2016049397-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049398-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049395-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049394-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049396-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed