SCHEMBL495911

SCHEMBL495911

CC(CCCCCCCCCCCCCCCC(=O)Cl)CC(=O)Cl.CCC(CCCCCCCCCCCCCCCC(=O)Cl)CC(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.38
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 2/20 0.34
ACE2 Q9BYF1 1/20 0.34
GSTK1 Q9Y2Q3 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
SCHEMBL495612 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL494277 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL494133 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL495927 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL494430 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL495154 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL495355 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL2501972 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL494323 0.92 ALDH1A1 (0.52) ALDH1A1TSHRTP53HDAC3HDAC4
SCHEMBL495837 0.88 ALDH1A1 (0.50) ALDH1A1TSHRTP53HDAC3HDAC4

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-8105970-B2 Olefin polymerization catalyst component and production process thereof, and production proces of olefin polymerization catalyst and olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-31 US disclosed