SCHEMBL6050388

SCHEMBL6050388

CC(=O)C(=O)c1ccccc1.O=C(CC(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.58
CES2 O00748 3/20 0.58
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SRD5A2 P31213 2/20 0.42
PLOD2 O00469 2/20 0.42

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
SCHEMBL600679 0.88 MEN1 (0.64) CES1CES2KMT2AMEN1MAPT
SCHEMBL10444453 0.84 MAPT (0.58) CES1CES2KMT2AMEN1MAPT
SCHEMBL25308457 0.78 SRD5A2 (0.59) CES1CES2KMT2AMEN1MAPT
SCHEMBL10338999 0.78 FNTA (0.56) CES1CES2KMT2AMEN1MAPT
SCHEMBL11400746 0.77 RAB9A (0.61) KMT2AMAPTHPGDSMN1; SMN2NPC1
SCHEMBL28598267 0.77 L3MBTL1 (0.74) CES1CES2KMT2AMEN1MAPT
Benzil SCHEMBL8339350 0.77 CES2 (0.64) CES1CES2KMT2AMEN1MAPT
SCHEMBL15180810 0.76 CES2 (1.00) CES1CES2MAPTCYP3A4TDP1
SCHEMBL180411 0.76 CES2 (1.00) CES1CES2MAPTCYP3A4TDP1
SCHEMBL5217028 0.75 CES1 (0.54) CES1CES2KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644435-A2 STABILIZING COMPOSITION FOR CHLORINE-CONTAINING POLYMERS ARKEMA (FR) 2006-04-12 EP disclosed
WO-2005005530-A2 STABILIZING COMPOSITION FOR CHLORINE-CONTAINING POLYMERS ARKEMA (FR) 2005-01-20 WO disclosed