SCHEMBL28008674

SCHEMBL28008674

CCCCC(=O)OOC(CC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ASAH1 Q13510 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ACER2 Q5QJU3 1/20 0.39
NAAA Q02083 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL28818298 0.95 ASAH1 (0.45) KDM4EMEN1KMT2ARECQLNPSR1
SCHEMBL28008233 0.91 L3MBTL1 (0.41) KDM4EMEN1KMT2ARECQLNPSR1
SCHEMBL19813179 0.84 KDM4E (0.51) KDM4EMEN1KMT2ARECQLNPSR1
SCHEMBL28008235 0.84 LMNA (0.41) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL28008654 0.84 TDP1 (0.50) KDM4EKMT2ARECQLSMN1; SMN2TDP1
SCHEMBL28008662 0.80 TSHR (0.50) KMT2ACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL28008281 0.80 FFAR1 (0.40) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL5066357 0.80 LMNA (0.49) KDM4EMEN1KMT2ARECQLCES2
SCHEMBL6668951 0.79 LMNA (0.51) KDM4EMEN1KMT2ARECQLNPSR1
SCHEMBL28008761 0.79 MMP8 (0.37) MEN1KMT2ASMN1; SMN2POLBNPC1

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-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed