SCHEMBL580059

SCHEMBL580059

COc1cc(CO)ccc1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CA2 P00918 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
LDHA P00338 1/20 0.45
ACHE P22303 1/20 0.45
STAT3 P40763 1/20 0.44

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
SCHEMBL2713576 0.85 NPC1 (0.52) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL580128 0.84 MRGPRX1 (0.56) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL7791111 0.83 ALDH1A1 (0.52) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL20314711 0.83 ALDH1A1 (0.49) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL24947871 0.82 ALDH1A1 (0.58) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL27939594 0.82 ALDH1A1 (0.48) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL28170408 0.82 CA2 (0.68) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL29997296 0.82 CA2 (0.68) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL119395 0.82 CA2 (0.68) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL7932198 0.81 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2HTTLMNA

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 360 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
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
EP-0977553-A1 THROAT SOOTHING 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
WO-1998047482-A1 THROAT SOOTHING 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