SCHEMBL2927883

SCHEMBL2927883

O=C(c1ccccc1)C(c1ccccc1)c1ccccc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
PTPN1 P18031 1/20 0.49
GAA P10253 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
LMNA P02545 1/20 0.48
HDAC4 P56524 8/20 0.47
HIF1A Q16665 2/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL2928276 0.91 TDP1 (0.55) L3MBTL1TDP1PTPN1GAACES2
SCHEMBL16807285 0.84 L3MBTL1 (0.46) L3MBTL1TDP1PTPN1GAACES2
SCHEMBL2927912 0.80 L3MBTL1 (1.00) L3MBTL1TDP1PTPN1CES2CES1
SCHEMBL11864426 0.80 L3MBTL1 (0.68) L3MBTL1TDP1PTPN1CES2CES1
SCHEMBL22917200 0.80 GAA (0.50) L3MBTL1TDP1GAACES2CES1
SCHEMBL17968495 0.80 GAA (0.58) L3MBTL1TDP1GAACES2CES1
SCHEMBL27819947 0.80 GAA (0.50) L3MBTL1TDP1GAACES2CES1
Methane SCHEMBL11867571 0.79 L3MBTL1 (0.66) L3MBTL1TDP1PTPN1CES2CES1
SCHEMBL16807287 0.78 L3MBTL1 (0.77) L3MBTL1TDP1PTPN1CES2CES1
SCHEMBL11000200 0.77 CES2 (0.50) GAACES2CES1HDAC4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303525-B1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS EVONIK DEGUSSA GMBH (DE) 2010-09-08 EP disclosed