SCHEMBL28572303

SCHEMBL28572303

CCC(C)CCOC(=O)CCCC(=O)OCCC(C)CC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.42
DNM1 Q05193 1/20 0.41
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PAM P19021 1/20 0.36

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
SCHEMBL437997 0.96 DGKA (0.53) DGKATSHRCYP3A4ATMTDP1
SCHEMBL8652104 0.94 DGKA (0.57) DGKATSHRCYP3A4ATMTDP1
SCHEMBL28576540 0.92 ADRA2A (0.45) DGKATSHRCYP3A4ATMTDP1
SCHEMBL10001375 0.91 DGKA (0.63) DGKATSHRCYP3A4ATMTDP1
SCHEMBL844747 0.89 DGKA (0.47) DGKATSHRCYP3A4ATMTDP1
SCHEMBL28711343 0.88 DGKA (0.44) DGKATSHRCYP3A4ATMTDP1
SCHEMBL29306410 0.88 DGKA (0.50) DGKATSHRCYP3A4ATMTDP1
SCHEMBL10001373 0.85 CYP3A4 (0.51) DGKATSHRCYP3A4ATMTDP1
SCHEMBL27917845 0.85 DGKA (0.40) DGKATSHRCYP3A4ATMTDP1
SCHEMBL4288211 0.85 DGKA (0.50) DGKATSHRCYP3A4ATMTDP1

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-109852161-B Single-component waterproof building coating and preparation method thereof 盛隆建材有限公司 2021-06-15 CN disclosed