SCHEMBL3279930

SCHEMBL3279930

C=C(C)C(=O)NCN(CCCCCC)CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 2/20 0.40
TSHR P16473 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
FAAH O00519 3/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
EPHX1 P07099 6/20 0.37
ICMT O60725 1/20 0.37
ALB P02768 1/20 0.37
DNM1 Q05193 2/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CASP2 P42575 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
SCHEMBL3279368 0.98 KDM5A (0.37) KDM5APHF8TSHRKDM4CFAAH
SCHEMBL3282459 0.93 CA12 (0.38) KDM5APHF8TSHRKDM4CFAAH
SCHEMBL3283470 0.85 CA12 (0.34)
SCHEMBL3280795 0.85 EPHX1 (0.48) KDM5APHF8KDM4CFAAHEPHX1
SCHEMBL291199 0.85 DNM1 (0.45) KDM5APHF8KDM4CFAAHEPHX1
SCHEMBL292513 0.85 DNM1 (0.42) KDM5APHF8TSHRKDM4CFAAH
SCHEMBL292986 0.85 DNM1 (0.45) KDM5APHF8KDM4CFAAHEPHX1
SCHEMBL3285678 0.83 EPHX1 (0.46) KDM5APHF8KDM4CFAAHEPHX1
SCHEMBL3280642 0.83 DNM1 (0.42) KDM5APHF8KDM4CEPHX1DNM1
SCHEMBL3279442 0.83 DNM1 (0.40) KDM5APHF8TSHRKDM4CEPHX1

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