SCHEMBL6472064

SCHEMBL6472064

C=C(CCCCCC(=O)C(=O)c1ccccc1I)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
TBXAS1 P24557 2/20 0.35

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
SCHEMBL6472601 1.00 CES2 (0.42) CES2CES1TDP1MEN1KMT2A
SCHEMBL6472434 0.98 CES2 (0.41) CES2CES1TDP1MEN1KMT2A
SCHEMBL6474442 0.95 CES2 (0.38) CES2CES1TDP1MEN1KMT2A
SCHEMBL6472071 0.89 ALDH1A1 (0.40) CES2CES1TDP1MEN1KMT2A
SCHEMBL6475119 0.79 CNR1 (0.36) CES2CES1MAPTLMNAUSP2
SCHEMBL6471957 0.76 CES2 (0.47) CES2CES1TDP1HDAC1MAPT
SCHEMBL6471676 0.76 CES2 (0.47) CES2CES1TDP1HDAC1MAPT
SCHEMBL6472144 0.74 CES2 (0.46) CES2CES1HDAC1MAPTLMNA
SCHEMBL6527030 0.72 CNR1 (0.37) CES2CES1KMT2AMAPTLMNA
SCHEMBL6528803 0.72 MEN1 (0.41) CES1TDP1MEN1KMT2AMAPT

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
WO-2005109041-A1 COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES MEDICAL POLYMERS LIMITED (GB) 2005-11-17 WO disclosed