SCHEMBL3283301

SCHEMBL3283301

C=C(CCCC)C(=O)NNC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.41
CES2 O00748 5/20 0.41
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.37
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
AKR1B1 P15121 1/20 0.33
HSD17B3 P37058 1/20 0.33
HSP90AA1 P07900 1/20 0.33
FAAH O00519 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
SCHEMBL3280217 0.87 KDM4E (0.37) CES1CES2ALDH1A1KDM4EKDM5C
SCHEMBL325418 0.83 CES1 (0.44) CES1CES2ALDH1A1TP53CA1
SCHEMBL3279306 0.82 CES1 (0.39) CES1CES2ALDH1A1TP53CA1
SCHEMBL3286089 0.80 HDAC3 (0.41) CES1CES2
SCHEMBL3279664 0.80 CES1 (0.38) CES1CES2ALDH1A1TP53CA1
SCHEMBL3286700 0.79 HDAC3 (0.41) CA1
SCHEMBL8089101 0.78 HSP90AA1 (0.45) CES1CES2ALDH1A1TP53CA1
SCHEMBL3283577 0.78
SCHEMBL3282425 0.77 HDAC3 (0.43) CA1
SCHEMBL29872685 0.77 CES1 (0.42) CES1CES2ALDH1A1TP53CA1

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