SCHEMBL22062262

SCHEMBL22062262

CCCCCC(NC)C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ ACE2 Q9BYF1 1/20 0.40
▸ GPR84 Q9NQS5 7/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ ZDHHC7 Q9NXF8 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ ZDHHC20 Q5W0Z9 1/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ ADH1B P00325 1/20 0.37
▸ ADH1C P00326 1/20 0.37
▸ ADH1A P07327 1/20 0.37
▸ ADH4 P08319 1/20 0.37
▸ ADH7 P40394 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL22301233 0.85 HDAC7 (0.37) CA1
SCHEMBL26465591 0.85 HDAC7 (0.37) CA1
SCHEMBL26464904 0.85 HDAC7 (0.37) CA1
SCHEMBL17806162 0.82 CA1 (0.42) CA1ACE2GPR84FFAR1ZDHHC7
SCHEMBL27250381 0.82 FOLH1 (0.41) —
SCHEMBL13468552 0.82 KISS1R (0.41) —
SCHEMBL20435279 0.82 FOLH1 (0.41) —
SCHEMBL16689672 0.82 CA1 (0.42) CA1ACE2GPR84FFAR1ZDHHC7
SCHEMBL26231094 0.82 KISS1R (0.41) —
SCHEMBL18689009 0.82 FOLH1 (0.41) —

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
US-10676509-B2 Surface-immobilized antimicrobial peptoids NORTHWESTERN UNIVERSITY (US) 2020-06-09 — — US disclosed
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