SCHEMBL27506576

SCHEMBL27506576

Cc1cccc(OC(C)(O)CO)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.47
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ FDPS P14324 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL15075251 0.84 ACHE (0.48) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL11018058 0.79 ALDH1A1 (0.40) LMNAALDH1A1
SCHEMBL10457356 0.78 ACHE (0.50) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL7604507 0.77 ACHE (0.46) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL7386225 0.77 ACHE (0.58) ACHELMNAALDH1A1GAADRD2
SCHEMBL3393561 0.75 ACHE (0.56) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL28963146 0.74 ACHE (0.60) ACHELMNAALDH1A1GAADRD2
SCHEMBL12853903 0.74 ACHE (0.50) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL28993170 0.74 ACHE (0.46) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL20462014 0.73 ACHE (0.54) ACHELMNAALDH1A1GAADRD2

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-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 — — CN disclosed
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