SCHEMBL9770760

SCHEMBL9770760

O=C(CF)C(F)(F)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.44
RAB9A P51151 3/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
HPGD P15428 2/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
NPC1 O15118 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL583437 0.89 CES1 (0.57) CES1SMN1; SMN2MAPTL3MBTL1PTPN1
SCHEMBL9565947 0.87 CES1 (0.55) CES1SMN1; SMN2MAPTL3MBTL1PTPN1
SCHEMBL9655468 0.87 CES1 (0.55) CES1SMN1; SMN2MAPTPTPN1GSK3B
SCHEMBL9630805 0.87 CES1 (0.55) CES1SMN1; SMN2MAPTPTPN1GSK3B
SCHEMBL711848 0.80 PLOD2 (0.50) CES1PTPN1RAB9ANPC1
SCHEMBL583454 0.79 CES1 (0.43) CES1MAPTGSK3BLMNAHPGD
SCHEMBL584064 0.79 CES2 (0.43) CES1MAPTL3MBTL1GSK3BRAB9A
SCHEMBL9770781 0.79 CA2 (0.55) CES1SMN1; SMN2MAPTPTPN1GSK3B
SCHEMBL4502846 0.77 CES1 (0.75) CES1SMN1; SMN2MAPTL3MBTL1PTPN1
SCHEMBL713840 0.77 CES2 (0.50) CES1SMN1; SMN2MAPTPTPN1RAB9A

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-0289390-B1 PROCESS FOR ELIMINATING RADIOACTIVITY FROM EFFLUENTS BY LIQUID-LIQUID EXTRACTION RHONE-POULENC CHIMIE (FR) 1991-10-16 EP disclosed
US-5006254-A Extraction with halogenated beta-diketone RHONE-POULENC CHIMIE (FR) 1991-04-09 US disclosed