SCHEMBL3279306

SCHEMBL3279306

C=C(CCCC)C(=O)NNCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
CES2 O00748 5/20 0.39
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.35
FAAH O00519 1/20 0.35
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.32
HSD17B3 P37058 1/20 0.32
HSP90AA1 P07900 1/20 0.32
AKR1B1 P15121 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
SCHEMBL3285669 0.88 CES2 (0.35) CES1CES2ALDH1A1TSHR
SCHEMBL3286089 0.86 HDAC3 (0.41) CES1CES2
SCHEMBL3279664 0.86 CES1 (0.38) CES1CES2ALDH1A1TP53CA1
SCHEMBL3286700 0.85 HDAC3 (0.41) CA1
SCHEMBL3282425 0.83 HDAC3 (0.43) CA1
SCHEMBL3283301 0.82 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL28890853 0.79 FAAH (0.47) CES1CES2ALDH1A1TP53CA1
SCHEMBL1880926 0.79 HDAC3 (0.31)
SCHEMBL3279719 0.78 HDAC3 (0.41)
SCHEMBL3280451 0.77 CASP2 (0.44) CA1

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