SCHEMBL27925204

SCHEMBL27925204

CCCCCCCCCCCCCC(=O)N(C)CC(C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CES2 O00748 3/20 0.43
▸ CES1 P23141 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 1/20 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
SCHEMBL28122410 0.91 EPHX2 (0.61) MAPTEPHX2FFAR4FFAR1MEN1
SCHEMBL21227661 0.87 EPHX2 (0.47) EPHX2FFAR4FFAR1ALDH1A1CES2
SCHEMBL22872799 0.87 EPHX2 (0.47) EPHX2FFAR4FFAR1ALDH1A1CES2
SCHEMBL15659443 0.83 MAPT (0.49) MAPTFFAR4FFAR1CES2CES1
SCHEMBL15657593 0.83 MAPT (0.49) MAPTFFAR4FFAR1CES2CES1
SCHEMBL23521354 0.83 MAPT (0.49) MAPTFFAR4FFAR1CES2CES1
SCHEMBL6404938 0.83 MAPT (0.49) MAPTFFAR4FFAR1CES2CES1
SCHEMBL15660116 0.83 MAPT (0.49) MAPTFFAR4FFAR1CES2CES1
SCHEMBL11194848 0.83 MAPT (0.49) MAPTFFAR4FFAR1CES2CES1
SCHEMBL23521355 0.83 MAPT (0.49) MAPTFFAR4FFAR1CES2CES1

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-103154221-A Method for cleaning bottles and removing labels from bottles ECOLAB INC 2013-06-12 — — CN disclosed
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