SCHEMBL579301

SCHEMBL579301

CCCOc1ccc(CO)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.50
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
CA2 P00918 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
CALM1 P0DP23 2/20 0.47
TSHR P16473 1/20 0.46
ACHE P22303 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
SCHEMBL6798353 0.93 NPSR1 (0.50) NPC1POLBRAB9AHSD17B10CA2
SCHEMBL579348 0.92 NPC1 (0.54) NPC1POLBRAB9AKDM4ESMN1; SMN2
SCHEMBL7038976 0.91 MAPT (0.49) NPC1POLBRAB9AKDM4ESMN1; SMN2
SCHEMBL277697 0.90 S1PR2 (0.55) NPC1POLBRAB9A
SCHEMBL9706223 0.89 POLB (0.57) NPC1POLBRAB9AKDM4EHTT
SCHEMBL579290 0.89 S1PR2 (0.57) NPC1POLBRAB9A
SCHEMBL2820207 0.89 S1PR2 (0.57) NPC1POLBRAB9A
SCHEMBL10427981 0.89 S1PR2 (0.57) NPC1POLBRAB9A
SCHEMBL28734148 0.88 POLB (0.56) NPC1POLBRAB9AKDM4EHTT
SCHEMBL462591 0.87 HDAC1 (0.52) NPC1POLBRAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113576987-A Massage gel applied to wave instrument and preparation method thereof 广州丽亦健美容美体设备有限公司 2021-11-02 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
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-103006509-B Emulsion compositions and apply its wet tissue GOLD HONG YE PAPER Co.,Ltd. (CN) 2016-03-02 CN claimed
CN-104887581-A Oral care composition and preparation method thereof YUNNAN TIANMEI TIANKANG BIOTECHNOLOGY CO LTD 2015-09-09 CN claimed
CN-104510628-A Household paper GOLD HONG YE PAPER CO LTD 2015-04-15 CN claimed
WO-2015014607-A1 IMIDAZO[1,2-A]PYRIDINE-YLMETHYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO claimed
WO-2015014609-A1 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO 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