SCHEMBL3279935

SCHEMBL3279935

C=C(C)C(=O)N(C)N(CCCCCC)CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
DNM1 Q05193 6/20 0.40
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CES2 O00748 4/20 0.35
GGPS1 O95749 3/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
CES1 P23141 3/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL3279373 0.98 TSHR (0.39) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL3282463 0.92 CA12 (0.36) TSHRDNM1THRATHRBCES2
SCHEMBL3283472 0.84 CA12 (0.32) TSHR
SCHEMBL1579083 0.81 EPHX2 (0.46) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL1930922 0.81 EPHX2 (0.46) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL1578997 0.81 EPHX2 (0.46) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL1931110 0.81 EPHX2 (0.46) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL375653 0.81 EPHX2 (0.46) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL1578436 0.81 EPHX2 (0.46) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL1578700 0.81 EPHX2 (0.46) TSHRDNM1S1PR2S1PR1S1PR3

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 3 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-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