SCHEMBL3279920

SCHEMBL3279920

CCCCC=C(C)C(=O)NNCCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.37
HDAC1 Q13547 9/20 0.37
HDAC2 Q92769 9/20 0.37
CCR2 P41597 1/20 0.36
EP300 Q09472 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
GRIK1 P39086 1/20 0.33
EPHX1 P07099 1/20 0.32
CNR1 P21554 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3280468 0.93 HDAC3 (0.41) HDAC3HDAC1HDAC2CCR2EP300
SCHEMBL3279967 0.91 HDAC1 (0.43) HDAC3HDAC1HDAC2CCR2EP300
SCHEMBL3280465 0.90 HDAC1 (0.44) HDAC3HDAC1HDAC2CCR2EP300
SCHEMBL3283384 0.89 HDAC3 (0.39) HDAC3HDAC1HDAC2CCR2HDAC10
SCHEMBL3286365 0.87 CCR2 (0.37) CCR2EP300GRIK1
SCHEMBL3282443 0.86 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3280868 0.84 HDAC1 (0.43) HDAC3HDAC1HDAC2CCR2HDAC10
SCHEMBL3278604 0.83 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3280297 0.83 HDAC1 (0.44) HDAC3HDAC1HDAC2CCR2HDAC11
SCHEMBL3283745 0.81 CCR2 (0.38) CCR2EP300GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
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