SCHEMBL8213375

SCHEMBL8213375

CCOC(=O)CCC(C)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL31182141 0.82 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL18256402 0.82 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL31182140 0.79 LMNA (0.48) GAAALDH1A1LMNATSHRHSD17B10
SCHEMBL31182136 0.79 TSHR (0.50) L3MBTL1KMT2AGAAMGAMSI
SCHEMBL103981 0.79 L3MBTL1 (0.53) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL10900159 0.78 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL18050554 0.78 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL28745724 0.78 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL927057 0.78 GAA (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL31182143 0.77 L3MBTL1 (0.45) 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
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
EP-0675889-B1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-07-05 EP disclosed
US-5595988-A Triazolo(pyrrolo, thieno or furano)azepine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-21 US disclosed
US-5589484-A TREATMENT OF HELICOBACTER INFECTIONS, ANTIULCER JANSSEN PHARMACEUTICA N.V. (BE) 1996-12-31 US disclosed
EP-0675889-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013681-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed