SCHEMBL5167970

SCHEMBL5167970

CCC(=O)OCc1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.75
GAA P10253 1/20 0.58
FAAH O00519 1/20 0.56
MGLL Q99685 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NAAA Q02083 1/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM5 P08912 1/20 0.49

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
SCHEMBL8754823 0.88 CYP3A4 (0.71) CYP3A4FAAHMGLLSMN1; SMN2HPGD
SCHEMBL29067208 0.88 CYP3A4 (0.74) CYP3A4GAAFAAHMGLLSMN1; SMN2
SCHEMBL27970839 0.86 CYP3A4 (0.72) CYP3A4FAAHMGLLSMN1; SMN2HPGD
SCHEMBL30800034 0.86 CYP3A4 (0.72) CYP3A4FAAHMGLLSMN1; SMN2HPGD
SCHEMBL306160 0.86 CYP3A4 (1.00) CYP3A4FAAHMGLLSMN1; SMN2HPGD
SCHEMBL29510136 0.86 CYP3A4 (1.00) CYP3A4FAAHMGLLSMN1; SMN2HPGD
SCHEMBL16320872 0.85 CYP3A4 (0.76) CYP3A4FAAHMGLLSMN1; SMN2HPGD
SCHEMBL28232905 0.85 CYP3A4 (0.58) CYP3A4GAASMN1; SMN2HPGDALDH1A1
SCHEMBL27803330 0.85 CYP3A4 (0.70) CYP3A4FAAHMGLLSMN1; SMN2HPGD
SCHEMBL11775335 0.84 CYP3A4 (0.58) CYP3A4GAAFAAHMGLLSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 CN claimed
CN-109400573-A Benzo [d] [1,3] dioxole class compound, preparation method and applications 中国人民解放军第二军医大学 2019-03-01 CN claimed
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 CN disclosed
CN-116715652-A Preparation method of key intermediate piperonylethylamine of berberine 迪庆顺源生物有限公司 2023-09-08 CN disclosed
CN-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 CN disclosed
CN-107920973-B Surface modification composition 株式会社LG生活健康 2021-05-07 CN disclosed
CN-109400573-A Benzo [d] [1,3] dioxole class compound, preparation method and applications 中国人民解放军第二军医大学 2019-03-01 CN disclosed
US-8539631-B2 Roller for providing benefits to fabric THE PROCTER & GAMBLE COMPANY (US) 2013-09-24 US disclosed
EP-1765139-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC The Procter and Gamble Company (US) 2007-03-28 EP disclosed
WO-2006010087-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC THE PROCTER & GAMBLE COMPANY (US) 2006-01-26 WO disclosed
US-20060005333-A1 Roller for providing benefits to fabric PROCTER & GAMBLE COMPANY, THE 2006-01-12 US disclosed