SCHEMBL8976585

SCHEMBL8976585

CN(C)C(CCCCCS)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.38
CPB2 Q96IY4 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8976503 0.92 FOLH1 (0.34) FOLH1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8976008 0.84 CHRNB2 (0.35) FOLH1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28958158 0.82 GRIK1 (0.44) CA1CA2MAPT
SCHEMBL28458244 0.82 GRIK1 (0.44) CA1CA2MAPT
SCHEMBL25389975 0.82 GRIK1 (0.44) CA1CA2MAPT
SCHEMBL8975745 0.81 FOLH1 (0.36) FOLH1CPB2CA1CA2
Hydrochloric Acid SCHEMBL11416121 0.81 GRIK1 (0.43) CA1CA2MAPT
SCHEMBL20411610 0.80 GSR (0.42) FOLH1CPB2CHRNB2CHRNB4CHRNA3
SCHEMBL12285998 0.80 CA1 (0.45) CA1CA2MAPT
SCHEMBL2280438 0.80 GSR (0.42) FOLH1CPB2CHRNB2CHRNB4CHRNA3

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
EP-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed