SCHEMBL8434391

SCHEMBL8434391

CC(C)c1ccccc1C(=O)C1CCCCC(=O)N1.CCCc1ccccc1C(=O)C1CCCC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.38
SLC6A4 P31645 10/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A3 Q01959 5/20 0.35
KCNH2 Q12809 2/20 0.35
HDAC3 O15379 6/20 0.34
HDAC11 Q96DB2 6/20 0.34
HDAC6 Q9UBN7 6/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CYP2D6 P10635 1/20 0.33
NCOR2 Q9Y618 2/20 0.33
TRHR P34981 1/20 0.33

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
SCHEMBL6221892 0.91 MME (0.35) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL6220885 0.88 SLC6A2 (0.45) SLC6A2SLC6A4ALDH1A1LMNASLC6A3
SCHEMBL6221810 0.85 CNR1 (0.36) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL6222867 0.84 CYSLTR2 (0.39) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL6226547 0.83 ALOX5 (0.39) SLC6A2SLC6A4SLC6A3HDAC3HDAC11
SCHEMBL6220820 0.83 CYSLTR2 (0.40) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL31032494 0.76 MCL1 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL10433018 0.75 HDAC3 (0.40) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL6222958 0.74 MEN1 (0.48) SLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL6223559 0.73 TP53 (0.44) LMNASLC6A3HDAC6

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
EP-0763096-B1 BLEACH COMPOSITIONS COMPRISING OLEOYL SARCOSINATE SURFACTANTS PROCTER & GAMBLE (US) 1999-12-15 EP disclosed