SCHEMBL9863530

SCHEMBL9863530

CC(C)(C)CCCCCC(=O)OOC(C)(C)c1ccc(C(C)(C)OOC(=O)CCCCCC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPK1 P28482 1/20 0.32
PTGER2 P43116 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR2 Q92731 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL216989 0.93 MAPK1 (0.44) CNR1CNR2HDAC1HDAC2MAPK1
SCHEMBL11228688 0.91 CYP2D6 (0.37) CNR1CNR2HDAC1HDAC6HDAC3
SCHEMBL9616935 0.88 CNR1 (0.34) CNR1CNR2HDAC1HDAC6HDAC3
SCHEMBL5184632 0.85 MAPK1 (0.43) CNR1CNR2HDAC1HDAC6HDAC3
SCHEMBL209146 0.85 LMNA (0.34) CNR1CNR2HDAC1HDAC2ALDH1A1
SCHEMBL30672047 0.85 MAPK1 (0.37) MAPK1ALDH1A1CYP3A4KMT2ALMNA
SCHEMBL15018564 0.82 MAPK1 (0.35) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL31422667 0.82 LMNA (0.35) CNR1CNR2MAPK1ALDH1A1CYP3A4
SCHEMBL11223626 0.81 KIF11 (0.38) CNR1CNR2HDAC1HDAC6HDAC3
SCHEMBL35530 0.80 DGKA (0.34) HDAC1HDAC6HDAC2MAPK1ALDH1A1

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-5066744-A Mixture of peroxy initiators with complementary half-lives, polymer with improved heat resistance and less odor NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-11-19 US disclosed