SCHEMBL28977201

SCHEMBL28977201

CC(C)CCC(C(=O)OO)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ SLC1A3 P43003 2/20 0.31
▸ SLC1A2 P43004 2/20 0.31
▸ SLC1A1 P43005 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 2/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL16864908 0.82 SMN1; SMN2 (0.43) CA1CA12CA2CA9
SCHEMBL8161959 0.80 ALDH1A1 (0.39) CA1CA12CA2CA9
SCHEMBL16799549 0.79 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL28385994 0.76 BLM (0.40) CA1CA12CA2CA9HTT
SCHEMBL10331442 0.75 PRKCA (0.39) —
SCHEMBL3179799 0.75 ZDHHC7 (0.46) CA1CA2
SCHEMBL12267751 0.74 PRKCA (0.31) —
SCHEMBL1572883 0.73 SLC1A3 (0.48) CA1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL5514417 0.73 SLC1A3 (0.48) CA1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL13251398 0.73 CA1 (0.39) CA1CA12CA2CA9SLC1A3

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-114099794-B Bioabsorbable orthopedic implant material and preparation method thereof 北京航空航天大学 2023-03-28 — — CN claimed
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