SCHEMBL580128

SCHEMBL580128

COc1cc(CO)ccc1OCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HTT P42858 2/20 0.46
STAT3 P40763 1/20 0.45
SIGMAR1 Q99720 4/20 0.45
KCNH2 Q12809 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
CA2 P00918 1/20 0.44
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL17521751 0.86 MRGPRX1 (0.54) MRGPRX1SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL9706223 0.85 POLB (0.57) KDM4ENPC1POLBRAB9AHTT
SCHEMBL580059 0.84 NPC1 (0.54) SMN1; SMN2KDM4EALDH1A1NPC1POLB
SCHEMBL28734148 0.83 POLB (0.56) KDM4EALDH1A1NPC1POLBRAB9A
SCHEMBL28734211 0.82 POLB (0.55) KDM4ENPC1POLBRAB9AHTT
SCHEMBL579301 0.82 NPC1 (0.55) SMN1; SMN2KDM4ENPC1POLBRAB9A
SCHEMBL3619386 0.81 NPC1 (0.54) SMN1; SMN2KDM4EALDH1A1NPC1POLB
SCHEMBL579348 0.81 NPC1 (0.54) SMN1; SMN2KDM4EALDH1A1NPC1POLB
SCHEMBL28734166 0.81 POLB (0.54) KDM4ENPC1POLBRAB9AHTT
SCHEMBL1888422 0.81 NPC1 (0.54) SMN1; SMN2KDM4EALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115721567-A Thermal wet tissue and preparation method thereof 芜湖悠派护理用品科技股份有限公司 2023-03-03 CN claimed
CN-113389055-A Cool or heat-sensitive microcapsule, nonwoven fabric and absorbent article 上海护理佳实业有限公司 2021-09-14 CN claimed
CN-111962292-A Spontaneous heating material body and spontaneous heating activated carbon non-woven fabric hair cap 上海创始实业(集团)有限公司 2020-11-20 CN claimed
CN-104887581-B A kind of oral care composition and preparation method thereof 云南天美天康生物科技有限公司 2018-02-23 CN claimed
EP-2742983-B1 Method for isolating fragrance and flavour compounds SYMRISE AG (DE) 2017-08-23 EP claimed
EP-1924148-B1 CONFECTIONERY COMPOSITION INCLUDING AN ELASTOMERIC COMPONENT, A COOKED SACCHARIDE COMPONENT, AND A SENSATE INTERCONTINENTAL GREAT BRANDS LLC (US) 2016-07-20 EP claimed
US-20160198747-A1 1H-PYRROLE-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2016-07-14 US claimed
EP-3041370-A1 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX Discovery GmbH (DE) 2016-07-13 EP claimed
CN-105473002-A 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS FRESENIUS KABI DE GMBH 2016-04-06 CN claimed
CN-103006509-B Emulsion compositions and apply its wet tissue GOLD HONG YE PAPER Co.,Ltd. (CN) 2016-03-02 CN claimed
US-20060188613-A1 Confectionery products containing caffeine THE PROCTER & GAMBLE COMPANY 2006-08-24 US claimed
EP-1693057-A1 Confectionery products containing caffeine THE PROCTER & GAMBLE COMPANY (US) 2006-08-23 EP claimed
EP-0977554-B1 CONFECTIONERY COMPOSITIONS PROCTER & GAMBLE (US) 2004-06-16 EP claimed
EP-0977553-B1 THROAT SOOTHING COMPOSITIONS PROCTER & GAMBLE (US) 2003-09-10 EP claimed
US-6432441-B1 ENCAPSULATION OF ANALGESICS, EXPECTORANTS OR ANTITUSSIVE AGENTS WITHIN PHOSPHATIDES TO PROLONG DRUG DELIVERY THE PROCTER & GAMBLE COMPANY 2002-08-13 US claimed
US-6306429-B1 THROAT DROPS SUITABLE FOR RELIEF OF COUGH AND COLD SYMPTOMS THE PROCTER & GAMBLE COMPANY 2001-10-23 US claimed
EP-0977554-A1 CONFECTIONERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP claimed
WO-1998047483-A1 CONFECTIONERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO claimed
EP-0837862-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-04-29 EP claimed
WO-1997002273-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-01-23 WO claimed