SCHEMBL1661276

SCHEMBL1661276

Oc1cc(Br)ccc1Oc1ccc(Br)cc1Br

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.75
ALDH1A1 P00352 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
ALOX15 P16050 7/20 0.70
LMNA P02545 2/20 0.69
MAPT P10636 2/20 0.69
HPGD P15428 2/20 0.69
MEN1 O00255 1/20 0.69
HTT P42858 1/20 0.69
KMT2A Q03164 1/20 0.69
ATM Q13315 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TSHR P16473 1/20 0.64
ALOX12 P18054 3/20 0.58
NR1I2 O75469 1/20 0.46
TTR P02766 1/20 0.46
PGR P06401 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ADORA3 P0DMS8 1/20 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
SCHEMBL10885322 0.89 MAPK1 (0.64) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL899494 0.87 MAPK1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL29367556 0.87 MAPK1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL29469602 0.84 MAPK1 (0.71) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL31290606 0.84 MAPK1 (0.71) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL30298314 0.83 MAPK1 (0.75) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL31177143 0.82 ALOX15 (1.00) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL29398700 0.82 ALOX15 (1.00) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL30298315 0.82 MEN1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1ALOX15
SCHEMBL30298317 0.82 MEN1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6491899-B1 DENTIFRICES CONTAINING A RETINOL, PANTHENOL AND BACTERICIDES USED AS PROPHYLACTIC AGENTS FOR ORAL DISEASES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-12-10 US claimed
EP-0220890-B1 ORAL HYGIENE COMPOSITION BEECHAM GROUP PLC (GB) 1991-09-11 EP claimed
EP-2158894-B1 Oral cleansing agent HENKEL AG & CO KGAA (DE) 2018-11-07 EP disclosed
EP-2140853-B1 Coated particle for use in cosmetics HENKEL AG & CO KGAA (DE) 2018-07-18 EP disclosed
EP-2617466-B1 Colour-stable mouthwash and mouthwash concentrates HENKEL AG & CO KGAA (DE) 2016-11-23 EP disclosed
US-9446267-B2 Products comprising a flavoring agent composition SYMRISE AG (DE) 2016-09-20 US disclosed
EP-1935397-B1 Oral and tooth care and cleaning agents for combating halitosis HENKEL AG & CO KGAA (DE) 2016-03-02 EP disclosed
EP-2186506-B1 Teeth cleaning compound containing menthol with reduced bitter sensation SYMRISE AG (DE) 2015-09-30 EP disclosed
EP-2025319-B1 Numbing oral and tooth care and cleaning agents HENKEL AG & CO KGAA (DE) 2015-09-23 EP disclosed
EP-1774954-B1 Mouthwash and dentifrice and cleansing composition HENKEL AG & CO KGAA (DE) 2014-08-13 EP disclosed
EP-1806126-B1 Dental preparations comprising enzymes HENKEL AG & CO KGAA (DE) 2014-06-04 EP disclosed
WO-2004080434-A1 ORAL AND DENTAL CARE AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-23 WO disclosed
WO-2004026295-A9 USE OF SKIN-PROTECTING SUBSTANCES PHENION GMBH & CO KG (DE) 2004-09-16 WO disclosed
WO-2004026295-A2 USE OF SKIN-PROTECTING SUBSTANCES PHENION GMBH & CO. KG (DE) 2004-04-01 WO disclosed
WO-2004026856-A1 TOCOPHERYL ESTER PHENION GMBH & CO. KG (DE) 2004-04-01 WO disclosed
US-6491899-B1 DENTIFRICES CONTAINING A RETINOL, PANTHENOL AND BACTERICIDES USED AS PROPHYLACTIC AGENTS FOR ORAL DISEASES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-12-10 US disclosed
EP-1098629-B1 ANTI-INFLAMMATORY DENTAL CARE AGENTS HENKEL KGAA (DE) 2002-09-25 EP disclosed
EP-1098629-A1 ANTI-INFLAMMATORY DENTAL CARE AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-05-16 EP disclosed
WO-2000006109-A1 ANTI-INFLAMMATORY DENTAL CARE AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-02-10 WO disclosed
EP-0220890-B1 ORAL HYGIENE COMPOSITION BEECHAM GROUP PLC (GB) 1991-09-11 EP disclosed