SCHEMBL3279719

SCHEMBL3279719

C=C(CCC)C(=O)NNCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.41
HDAC1 Q13547 13/20 0.40
HDAC2 Q92769 13/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
CASP2 P42575 1/20 0.37
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL3280451 0.94 CASP2 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3279737 0.93 CASP2 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3286089 0.92 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3279648 0.88 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3286700 0.87 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3278928 0.86 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3282425 0.85 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3279664 0.85 CES1 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3285669 0.82 CES2 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3278185 0.81 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6

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