SCHEMBL4895779

SCHEMBL4895779

CCCCCCC(C#N)(CCCCCC)NC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
GGPS1 O95749 6/20 0.33
PDE4A P27815 1/20 0.33
FDPS P14324 9/20 0.32
SMPD1 P17405 2/20 0.31
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
SCHEMBL4894125 0.91 PDE4A (0.35) TSHRPDE4A
SCHEMBL12065147 0.81 PDE4A (0.44) PDE4A
SCHEMBL24926178 0.78 EPHX1 (0.36) EPHX1TSHRTHRBGGPS1FDPS
SCHEMBL11141679 0.76 EPHX1 (0.35) EPHX1TSHR
SCHEMBL23700067 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL23700088 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL23700072 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL16672477 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL695768 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9453333 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064620-A1 Mixtures Of Ammonionitrile Bleach Activators And Amino Acids CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-03-13 US disclosed