SCHEMBL28067134

SCHEMBL28067134

CCCC(=O)CCC.CCCCC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.50
CES2 O00748 6/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.44
IAPP P10997 2/20 0.40
AKR1B1 P15121 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6568985 0.92 KMT2A (0.52) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL8162695 0.92 CES1 (0.52) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL18043750 0.92 TDP1 (0.47) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL10885739 0.92 TDP1 (0.47) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL7804616 0.92 CES1 (0.52) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL23735959 0.92 CES1 (0.52) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL10432224 0.92 KMT2A (0.58) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL109288 0.92
SCHEMBL20913016 0.92 CES1 (0.58) CES1CES2MAPTKMT2AALDH1A1
SCHEMBL105902 0.92

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
CN-105612459-A Metal-containing resist underlayer film-forming composition containing polyacid NISSAN CHEMICAL IND LTD 2016-05-25 CN disclosed