Bergapten

Bergapten

SCHEMBL4731782

COc1c2ccoc2cc2oc(=O)ccc12.COc1c2ccoc2cc2oc(=O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KDM4E B2RXH2 5/20 1.00
CYP3A4 P08684 4/20 1.00
CYP1B1 Q16678 3/20 1.00
CYP2A6 P11509 2/20 1.00
CYP1A1 P04798 2/20 1.00
CYP1A2 P05177 2/20 1.00
PGR P06401 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
KCNA2 P16389 1/20 1.00
TSHR P16473 1/20 1.00
MAOA P21397 1/20 1.00
CYP2C19 P33261 1/20 1.00
HSD17B10 Q99714 1/20 1.00
KCNA3 P22001 10/20 0.66
KCNA5 P22460 6/20 0.66
HPGD P15428 2/20 0.64
MAPT P10636 2/20 0.64

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
Bergapten SCHEMBL50066 1.00 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
Bergapten SCHEMBL29529284 1.00 ALDH1A1 (1.00) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
Isopimpinellin SCHEMBL29787210 0.90 CYP3A4 (0.82) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
Bergapten SCHEMBL15534211 0.88 ALDH1A1 (0.82) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
Bergapten SCHEMBL9792363 0.86 CYP3A4 (0.74) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
SCHEMBL19346062 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
SCHEMBL9122678 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
SCHEMBL6802035 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
Bergapten SCHEMBL17008955 0.81 KDM4E (0.66) ALDH1A1KDM4ECYP3A4CYP1B1CYP2A6
SCHEMBL2579390 0.80 KCNA3 (1.00) KCNA2KCNA3KCNA5THRBKCNA4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3469055-A1 CLEANING COMPOSITIONS INCLUDING NUCLEASE ENZYME AND MALODOR REDUCTION MATERIALS The Procter & Gamble Company (US) 2019-04-17 EP disclosed
EP-3365418-A2 PARTICLES FOR MALODOR REDUCTION The Procter and Gamble Company (US) 2018-08-29 EP disclosed
WO-2017214244-A1 CLEANING COMPOSITIONS INCLUDING NUCLEASE ENZYME AND MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2017-12-14 WO disclosed
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and 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-3197422-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS The Procter & Gamble Company (US) 2017-08-02 EP disclosed
EP-3197423-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
EP-3197510-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS 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-3197424-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
WO-2016049389-A1 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
WO-2016049398-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS 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-2016049396-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS 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-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-2008035391-A2 COMPOSITION COMPRISING DISTILLATE AND ESSENCE OF BERGAMOT FARMACIA MINICUCI DELLA DOTT.SSA MARIA PANSERA 2008-03-27 WO disclosed