SCHEMBL7709384

SCHEMBL7709384

CCCC(O)/C=C/C=C/O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
GAPDH P04406 2/20 0.45
TRPA1 O75762 1/20 0.45
DDAH1 O94760 1/20 0.45
MAPT P10636 1/20 0.45
FPR2 P25090 3/20 0.38
PPARG P37231 2/20 0.38
GPR132 Q9UNW8 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7709385 1.00 ACHE (0.46) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL26404475 0.87 GAPDH (0.50) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL26404472 0.87 GAPDH (0.50) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL26404500 0.87 GAPDH (0.50) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL8644777 0.86 ACHE (0.61) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL8644779 0.86 ACHE (0.61) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL7132184 0.82
SCHEMBL7132186 0.82
SCHEMBL15550959 0.81 ACHE (0.46) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL15550958 0.81 ACHE (0.46) ACHEBACE1GAPDHTRPA1DDAH1

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-6369025-B1 USEFUL FOR SOFTENING CLOTH THE PROCTER & GAMBLE COMPANY 2002-04-09 US disclosed