SCHEMBL28515464

SCHEMBL28515464

CCC(=O)OCCC(=O)O.[Pd]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
FFAR3 O14843 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HTT P42858 1/20 0.41
DGKA P23743 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
DNM1 Q05193 1/20 0.37
AKR1B1 P15121 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
KDM6B O15054 1/20 0.37

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
SCHEMBL2479752 0.98 NAAA (0.52) NAAAFFAR3HDAC3HDAC1HDAC2
SCHEMBL14444938 0.84 NAAA (0.48) NAAAFFAR3HDAC3HDAC1HDAC2
SCHEMBL727436 0.84 NAAA (0.59) NAAAHTTALDH1A1TSHRAKR1B1
SCHEMBL14354798 0.82 NAAA (0.63) NAAAHTTDGKAALDH1A1TSHR
SCHEMBL10768591 0.81 FFAR3 (0.55) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7569205 0.80 NAAA (0.67) NAAAHTTDGKAALDH1A1TSHR
SCHEMBL11909112 0.80 NAAA (0.67) NAAAHTTDGKAALDH1A1TSHR
SCHEMBL3503492 0.80 NAAA (0.67) NAAAHTTDGKAALDH1A1TSHR
SCHEMBL11909789 0.80 NAAA (0.67) NAAAHTTDGKAALDH1A1TSHR
SCHEMBL10599272 0.80 NAAA (0.67) NAAAHTTDGKAALDH1A1TSHR

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
CN-112251270-A Fully-synthetic air compressor oil and preparation method thereof 辽宁三特石油化工有限公司 2021-01-22 CN claimed
CN-112251270-A Fully-synthetic air compressor oil and preparation method thereof 辽宁三特石油化工有限公司 2021-01-22 CN disclosed