SCHEMBL28945792

SCHEMBL28945792

CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC(=O)CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.59
GPR84 Q9NQS5 7/20 0.50
CA1 P00915 2/20 0.48
FFAR1 O14842 2/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CA2 P00918 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
FDPS P14324 3/20 0.43

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
SCHEMBL28945753 1.00 ACE2 (0.59) ACE2GPR84CA1FFAR1MAPT
SCHEMBL28480389 0.98 ACE2 (0.55) ACE2GPR84CA1FFAR1MAPT
SCHEMBL9142345 0.91 ACE2 (0.55) ACE2GPR84CA1FFAR1MAPT
SCHEMBL807542 0.91 ACE2 (0.55) ACE2GPR84CA1FFAR1MAPT
SCHEMBL28716932 0.91 ACE2 (0.47) ACE2GPR84CA1MAPTCA2
SCHEMBL11461313 0.90 ACE2 (0.53) ACE2GPR84FFAR1MAPTFFAR4
SCHEMBL14040414 0.90 ACE2 (0.53) ACE2GPR84CA1FFAR1MAPT
SCHEMBL27950594 0.90 ACE2 (0.58) ACE2GPR84CA1FFAR1MAPT
SCHEMBL1420886 0.89 ACE2 (0.52) ACE2GPR84CA1FFAR1MAPT
SCHEMBL9959150 0.88 FAAH (0.54) ACE2GPR84CA1FFAR1MAPT

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-115667599-A Heat-accumulating composition 住友化学株式会社 2023-01-31 CN disclosed