SCHEMBL8005447

SCHEMBL8005447

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC3 O15379 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
KDM1A O60341 1/20 0.33
TRPA1 O75762 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL109486 0.88 CA1 (0.50) CA1ALDH1A1TDP1CES2CES1
SCHEMBL28847799 0.86 ALDH1A1 (0.50) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL110531 0.83 CA1 (0.60) CA1ALDH1A1TDP1TRPA1
SCHEMBL1462670 0.82 CA1 (0.44) CA1ALDH1A1TDP1LMNASLC15A2
Alcohol SCHEMBL7119110 0.80 CA1 (0.52) CA1ALDH1A1TDP1TSHRTRPA1
SCHEMBL35996 0.80
SCHEMBL7541851 0.80
Fluoride SCHEMBL28026874 0.80 CA1 (0.57) CA1ALDH1A1TDP1TRPA1
SCHEMBL3790342 0.80 CA1 (0.57) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL14350722 0.80 CA1 (0.57) CA1ALDH1A1TDP1TRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048649-A DEFECT MASKING WITH LITHOGRAPHY STRUCTURE, MULTILAYER LATENT IMAGE SEGMENTS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2000-04-11 US claimed
US-6048649-A DEFECT MASKING WITH LITHOGRAPHY STRUCTURE, MULTILAYER LATENT IMAGE SEGMENTS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2000-04-11 US disclosed