SCHEMBL8800945

SCHEMBL8800945

CC(C)(C)C(=O)c1occc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
ESR1 P03372 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR2 Q92731 1/20 0.32

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
Methyl Alcohol SCHEMBL30575190 0.79 L3MBTL1 (0.46) L3MBTL1TDP1KMT2ATP53ALOX15
Methyl Alcohol SCHEMBL28731737 0.79 L3MBTL1 (0.46) L3MBTL1TDP1KMT2ATP53ALOX15
SCHEMBL38507 0.79 L3MBTL1 (0.45) L3MBTL1TDP1KMT2ATP53HPGD
SCHEMBL28257547 0.79 L3MBTL1 (0.45) L3MBTL1TDP1KMT2ATP53HPGD
SCHEMBL9630701 0.78 L3MBTL1 (0.45) L3MBTL1TDP1KMT2ATP53ALOX15
SCHEMBL28829681 0.77 L3MBTL1 (0.44) L3MBTL1TDP1KMT2ATP53HPGD
Bicarbonate SCHEMBL28887905 0.77 L3MBTL1 (0.44) L3MBTL1TDP1KMT2ATP53HPGD
Calcium SCHEMBL31344979 0.77 L3MBTL1 (0.44) L3MBTL1TDP1KMT2ATP53HPGD
SCHEMBL30027079 0.77 L3MBTL1 (0.44) L3MBTL1TDP1KMT2ATP53HPGD
SCHEMBL28872294 0.77 L3MBTL1 (0.44) L3MBTL1TDP1KMT2ATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731803-A4 NOVEL FURANODIAZEPINES MERCK & CO INC (US) 1997-06-18 EP disclosed
EP-0731803-A1 NOVEL FURANODIAZEPINES MERCK & CO. INC. (US) 1996-09-18 EP disclosed
US-5453424-A Furanodiazepines MERCK & CO., INC. (US) 1995-09-26 US disclosed
WO-1995014695-A1 NOVEL FURANODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed