SCHEMBL7699417

SCHEMBL7699417

CCOC(=O)C(C)O.O=C(O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.47
MMP8 P22894 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PIN1 Q13526 1/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL28262762 0.87 L3MBTL1 (0.54) L3MBTL1LMNAALDH1A1HSD17B10MMP8
Benzyl Benzoate SCHEMBL15390333 0.86 KMT2A (0.68) L3MBTL1LMNAALDH1A1KMT2ATDP1
SCHEMBL1107604 0.86 ALDH1A1 (0.62) L3MBTL1LMNAALDH1A1KMT2AMAPK1
SCHEMBL320610 0.86 ALDH1A1 (0.62) L3MBTL1LMNAALDH1A1KMT2AMAPK1
SCHEMBL201855 0.86 ALDH1A1 (0.62) L3MBTL1LMNAALDH1A1KMT2AMAPK1
SCHEMBL7699400 0.85 LDHA (0.46) L3MBTL1LMNAALDH1A1KMT2ATDP1
SCHEMBL19318898 0.81 L3MBTL1 (0.57) L3MBTL1LMNAALDH1A1HSD17B10MMP8
SCHEMBL8424336 0.81 ALDH1A1 (0.56) L3MBTL1LMNAALDH1A1HSD17B10MMP8
SCHEMBL8424338 0.81 ALDH1A1 (0.56) L3MBTL1LMNAALDH1A1HSD17B10MMP8
Toluene SCHEMBL8038714 0.81 PIN1 (0.51) L3MBTL1LMNAALDH1A1MMP8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469193-B1 THREE COMPONENT COUPLINGS OF ALIPHATIC ALCOHOLS, ALKYL HALIDES AND CARBON DIOXIDE IN THE PRESENCE OF CESIUM CARBONATE AND TETRABUTYLAMMONIUM IODIDE UNIVERSITY OF SOUTH FLORIDA 2002-10-22 US disclosed
WO-2000050376-A9 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIV SOUTH FLORIDA (US) 2001-10-11 WO disclosed
WO-2000050376-A2 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIVERSITY OF SOUTH FLORIDA (US) 2000-08-31 WO disclosed