SCHEMBL28014444

SCHEMBL28014444

CC(C)CCC1CCCCC1CCOC(=O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HMGCR P04035 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CDC25A P30304 2/20 0.36
MAPT P10636 2/20 0.32
SLC18A2 Q05940 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACE P12821 2/20 0.31
REN P00797 1/20 0.31
BLM P54132 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 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
SCHEMBL28014442 0.94 HMGCR (0.36) LMNAHMGCRALDH1A1CDC25AMAPT
SCHEMBL19690411 0.80 ALDH1A1 (0.45) LMNAHMGCRALDH1A1CDC25AMAPT
Cyclohexane SCHEMBL27646446 0.78 LMNA (0.47) LMNAALDH1A1MAPTADRA2AADRA1A
SCHEMBL13575623 0.76 CYP19A1 (0.45) LMNAMAPTADRA2AADRA1ABLM
SCHEMBL28015108 0.76 LMNA (0.39) LMNAALDH1A1MAPTADRA2AADRA1A
SCHEMBL28014429 0.74 LMNA (0.49) LMNAALDH1A1MEN1KMT2AMMP3
SCHEMBL3571826 0.73 LMNA (0.69) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL27216289 0.73 KDM4C (0.41) LMNAMAPTADRA2AADRA1ABLM
SCHEMBL19690410 0.73 ALDH1A1 (0.49) ALDH1A1CDC25AMEN1KMT2AGAA
SCHEMBL15490088 0.72 LMNA (0.50) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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-104736627-A Propylene resin composition for retort pouch-packaging film SUN ALLOMER LTD 2015-06-24 CN disclosed