SCHEMBL4258104

SCHEMBL4258104

CC1CCC(C(C)C)[C](CC(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL4088275 0.76
SCHEMBL3475452 0.75
SCHEMBL21611735 0.75
SCHEMBL9654791 0.74
SCHEMBL581261 0.73 NPC1 (0.41) NPC1L3MBTL1ALDH1A1
SCHEMBL4815133 0.73 NPC1 (0.40) NPC1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL5706303 0.72
Menthone SCHEMBL31534032 0.71 NPC1 (0.42) NPC1L3MBTL1MEN1ALDH1A1KMT2A
Menthone SCHEMBL28849343 0.71 NPC1 (0.42) NPC1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL7731793 0.69 EPHX1 (0.37) NPC1L3MBTL1MEN1ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106511112-B A kind of persistently refrigerant antibacterial toothpaste and preparation method thereof 美晨集团股份有限公司 2019-10-18 CN disclosed
CN-106491390-B A kind of persistently refrigerant antibacterial oral cavity cleaning and nursing liquid and preparation method thereof 美晨集团股份有限公司 2019-09-03 CN disclosed
CN-106511112-A Toothpaste with lasting cooling and bacteriostatic effects and preparation method of toothpaste 美晨集团股份有限公司 2017-03-22 CN disclosed
CN-106491390-A A kind of persistently refrigerant antibacterial oral cavity cleaning and nursing liquid and preparation method thereof 美晨集团股份有限公司 2017-03-15 CN disclosed
US-20090123392-A1 FRAGRANCE ACCORDS TO COMBAT THE PERCEPTION OF BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-05-14 US disclosed