SCHEMBL28577151

SCHEMBL28577151

CC[C@@H](C)CCCCCCCOC(=O)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.38
NAAA Q02083 1/20 0.37
EPHX1 P07099 1/20 0.35
ACHE P22303 6/20 0.34
TSHR P16473 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL28573510 1.00 ACE2 (0.38) ACE2NAAAEPHX1ACHETSHR
SCHEMBL22182887 0.87 ACE2 (0.35) ACE2NAAAEPHX1ACHETSHR
SCHEMBL28418967 0.85 TSHR (0.44) ACE2NAAAEPHX1ACHETSHR
SCHEMBL27627896 0.84 ALOX15 (0.39) TSHRHRH4HRH3
SCHEMBL1301422 0.83 ALDH1A1 (0.52) ACE2NAAAEPHX1TSHR
SCHEMBL1301124 0.83 ALDH1A1 (0.52) ACE2NAAAEPHX1TSHR
SCHEMBL756657 0.83 ALDH1A1 (0.52) ACE2NAAAEPHX1TSHR
SCHEMBL536605 0.83 GPR84 (0.36) NAAA
SCHEMBL20377653 0.83 ALDH1A1 (0.52) ACE2NAAAEPHX1TSHR
SCHEMBL1301841 0.83 ALDH1A1 (0.52) ACE2NAAAEPHX1TSHR

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-108191655-B Synthetic method and application of American western corn rootworm sex pheromone 西北农林科技大学 2021-05-28 CN disclosed