SCHEMBL28068435

SCHEMBL28068435

CCC(CC(=O)O)OC.CCC(CC(=O)O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.43
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
CYP1A2 P05177 3/20 0.37
FFAR3 O14843 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 4/20 0.36
GMNN O75496 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
HSP90AA1 P07900 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 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
SCHEMBL25517 1.00
Ammonia Solution, Strong SCHEMBL22607979 0.98 MMP12 (0.42) MMP12LMNASMN1; SMN2SLC22A6CYP1A2
Alcohol SCHEMBL28013088 0.95 MMP12 (0.41) MMP12LMNASMN1; SMN2SLC22A6CYP1A2
Acetic Acid SCHEMBL4476436 0.95 LMNA (0.41) MMP12LMNASMN1; SMN2SLC22A6CYP1A2
SCHEMBL27975095 0.93 MMP12 (0.40) MMP12LMNASMN1; SMN2SLC22A6CYP1A2
SCHEMBL28066392 0.89 MMP12 (0.38) MMP12LMNASMN1; SMN2SLC22A6CYP1A2
Isobutyraldehyde SCHEMBL28055884 0.88 MMP12 (0.37) MMP12LMNASMN1; SMN2CYP1A2TDP1
Propylene Glycol SCHEMBL27935753 0.88 TDP1 (0.39) MMP12LMNASMN1; SMN2SLC22A6TDP1
SCHEMBL3692336 0.87 MMP12 (0.47) MMP12LMNASMN1; SMN2SLC22A6CYP1A2
Ethyl Acetate SCHEMBL3765604 0.86 ALDH1A1 (0.52) MMP12LMNASMN1; SMN2TSHR

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-105505149-A Environment-friendly low-odor matte top-coat GUANGDONG BADESE CHEMICAL CO LTD 2016-04-20 CN disclosed