SCHEMBL29149159

SCHEMBL29149159

CCCC(=O)OCC(C)C(C)CCC(C)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKCA P17252 3/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
ALOX15 P16050 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32

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
SCHEMBL6703366 0.79 MAPT (0.47) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL28423604 0.77 MAPT (0.48) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL2717075 0.77 MAPT (0.48) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL28566748 0.77 MAPT (0.42) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL9756867 0.77 MAPT (0.52) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL9150521 0.76 MAPT (0.52) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL9151920 0.76 MAPT (0.52) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL27297441 0.74 MAPT (0.59) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL29223518 0.74 TSHR (0.56) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL29473913 0.74 MAPT (0.48) MAPTTSHRCYP3A4ATMTDP1

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-117460706-A Recovered component oxo product 伊士曼化工公司 2024-01-26 CN claimed
CN-117460706-A Recovered component oxo product 伊士曼化工公司 2024-01-26 CN disclosed