SCHEMBL28525896

SCHEMBL28525896

CCCCCCC(C)CCCCCCCOC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
ACE2 Q9BYF1 1/20 0.55
TSHR P16473 3/20 0.50
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
FAAH O00519 2/20 0.46
ALOX15 P16050 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
CES2 O00748 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL28535594 0.96 ALDH1A1 (0.61) ALDH1A1ACE2TSHRNAAAEPHX1
SCHEMBL30704815 0.96 ALDH1A1 (0.61) ALDH1A1ACE2TSHRNAAAEPHX1
SCHEMBL14525662 0.93 ALDH1A1 (0.55) ALDH1A1ACE2TSHRNAAAFAAH
SCHEMBL27692304 0.93 ALDH1A1 (0.55) ALDH1A1ACE2TSHRNAAAFAAH
SCHEMBL15149621 0.92 ALDH1A1 (0.52) ALDH1A1ACE2TSHRNAAAALOX15
SCHEMBL14525663 0.91 ALDH1A1 (0.57) ALDH1A1ACE2TSHRNAAAFAAH
Nonylacetate SCHEMBL18131571 0.89 ALDH1A1 (0.61) ALDH1A1TSHRNAAAEPHX1FAAH
SCHEMBL1300593 0.89 ALDH1A1 (0.65) ALDH1A1ACE2TSHRNAAAEPHX1
SCHEMBL14947257 0.87 ALDH1A1 (0.63) ALDH1A1TSHRNAAAEPHX1FAAH
SCHEMBL1301124 0.87 ALDH1A1 (0.52) ALDH1A1ACE2TSHRNAAAEPHX1

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-107920507-B Granular pesticide composition 组合化学工业株式会社 2021-05-14 CN disclosed
CN-107949278-B Granular pesticide composition 组合化学工业株式会社 2021-01-15 CN disclosed