SCHEMBL18256402

SCHEMBL18256402

CCOC(=O)CCC(C)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TRPA1 O75762 1/20 0.41
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL31182143 0.86 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL31182139 0.86 DGKA (0.41) L3MBTL1KMT2APOLBALDH1A1LMNA
SCHEMBL31182135 0.83 TSHR (0.48) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL31182141 0.83 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL13502968 0.83 LMNA (0.33) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL16213690 0.82 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL8213375 0.82 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL8434526 0.81 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL103981 0.80 L3MBTL1 (0.53) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL10900159 0.80 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716732-A1 USE OF ALKYL 4-ALKOXYPENTANOATES AS AROMA CHEMICALS BASF SE (DE) 2026-04-01 EP disclosed
WO-2024223790-A1 USE OF ALKYL 4-ALKOXYPENTANOATES AS AROMA CHEMICALS BASF SE (DE) 2024-10-31 WO disclosed
CN-109928878-B Method for preparing 4-alkoxy valerate through liquid phase hydrogenation and supported catalyst 华东师范大学 2021-10-15 CN disclosed
US-20160338631-A1 SYSTEM AND METHOD FOR PHOTOLUMINESCENCE DETECTION THE GENERAL HOSPITAL CORPORATION 2016-11-24 US disclosed
CN-105384628-A Preparation method of ester ether compound and catalyst applied to method UNIV EAST CHINA NORMAL 2016-03-09 CN disclosed
CN-102412416-A Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORP 2012-04-11 CN disclosed