SCHEMBL28567697

SCHEMBL28567697

CC(C)CC(=O)CC(=O)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
FAAH O00519 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1012855 0.85 LMNA (0.46) LMNATSHRALDH1A1HSD17B10ALOX15
SCHEMBL529207 0.81 MGAM (0.46) LMNAMMP1MMP2MMP3MMP9
SCHEMBL127431 0.80 MMP1 (0.58) LMNAMMP1MMP2MMP3MMP9
SCHEMBL229792 0.80 TSHR (0.50) LMNATSHRALDH1A1HSD17B10ALOX15
SCHEMBL181911 0.79 LMNA (0.47) LMNATSHRALDH1A1TDP1HSD17B10
SCHEMBL29467311 0.79 LMNA (0.47) LMNATSHRALDH1A1TDP1HSD17B10
SCHEMBL11133563 0.79 LMNA (0.42) LMNATSHRALDH1A1HSD17B10ALOX15
SCHEMBL30773916 0.78 ALDH1A1 (0.36) MMP1MMP2MMP3MMP9MMP13
Ammonia Solution, Strong SCHEMBL8684701 0.78 MMP1 (0.56) LMNAMMP1MMP2MMP3MMP9
SCHEMBL5147195 0.78 MMP1 (0.56) LMNAMMP1MMP2MMP3MMP9

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-106661395-B Workpiece fixing sheet with resin layer 琳得科株式会社 2021-05-28 CN disclosed