SCHEMBL1629285

SCHEMBL1629285

C=C(CCC)C(=O)N(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1630767 0.88 CES1 (0.39) CES2CES1TSHRALDH1A1
SCHEMBL1628416 0.75 CA1 (0.42) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL675176 0.75 CES2 (0.39) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL429458 0.75 ALDH1A1 (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL1629859 0.73 LMNA (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL2035630 0.72 CES2 (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28252826 0.71 PHF8 (0.37) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL1628759 0.71 CA12 (0.43) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL20315005 0.70 CES2 (0.39) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL29381046 0.70 HDAC3 (0.39) CES2CES1HDAC3HDAC1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-20110089114-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS LIVINGSTONE GREGORY J 2011-04-21 US disclosed
WO-2010121042-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS FLUITEC INTERNATIONAL (US) 2010-10-21 WO disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed