SCHEMBL9856678

SCHEMBL9856678

CC(=O)CCC(C)=O.CC(=O)CO.CC(=O)CO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
LMNA P02545 2/20 0.59
SLC15A2 Q16348 1/20 0.59
TDP1 Q9NUW8 2/20 0.44
TRPA1 O75762 1/20 0.41
PAOX Q6QHF9 2/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CHRM1 P11229 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL10001 0.88
SCHEMBL5612211 0.88 ALDH1A1 (0.54) ALDH1A1LMNASLC15A2TDP1TRPA1
SCHEMBL1870277 0.88
SCHEMBL15327802 0.88 ALDH1A1 (0.54) ALDH1A1LMNASLC15A2TDP1TRPA1
SCHEMBL8356772 0.88 ALDH1A1 (0.54) ALDH1A1LMNASLC15A2TDP1TRPA1
SCHEMBL19043 0.88
SCHEMBL28060459 0.88 ALDH1A1 (1.00) ALDH1A1LMNASLC15A2TDP1TRPA1
Alcohol SCHEMBL137775 0.85 ALDH1A1 (0.77) ALDH1A1LMNASLC15A2TDP1TRPA1
SCHEMBL27584016 0.84
SCHEMBL6801343 0.84

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-5075171-A Coating primer on three-dimensional network, applying semiconductive film FUJI PHOTO FILM CO., LTD. (JP) 1991-12-24 US disclosed