SCHEMBL31322932

SCHEMBL31322932

CCCCCC(C)C(=N)C(C)=N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
FDPS P14324 5/20 0.45
OPRM1 P35372 1/20 0.41
ACE2 Q9BYF1 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
NFKB1 P19838 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
SCHEMBL28499415 0.93 FDPS (0.43) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL30450220 0.83 FDPS (0.39) FDPS
SCHEMBL20143627 0.81 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL24933465 0.81 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
Hydrochloric Acid SCHEMBL31076153 0.81 FDPS (0.37) FDPS
SCHEMBL101401 0.75 CA1 (0.56) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL27863219 0.74 CA1 (0.50) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL20520239 0.73 CA1 (0.54) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL2301401 0.73 CA1 (0.54) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL20520253 0.73 CA1 (0.54) CA1FDPSOPRM1ACE2SPHK1

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-119040440-A Extended microscopic method suitable for protein and nucleic acid super-resolution co-imaging and application thereof 上海交通大学 2024-11-29 CN disclosed