SCHEMBL3857657

SCHEMBL3857657

C=CC(S)NC(=O)CCC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
GNPAT O15228 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL940791 0.82 GNPAT (0.42) ITGB3ITGA2BGNPATSLC6A2SLC6A4
SCHEMBL6396783 0.74
SCHEMBL223004 0.73 ALDH1A1 (0.33) TSHR
SCHEMBL8680410 0.69 DNM1 (0.37) GNPATBLMKMT2A
SCHEMBL8229956 0.69 MEN1 (0.52) MEN1TSHRKMT2A
SCHEMBL2790087 0.68
SCHEMBL11568653 0.68
SCHEMBL20988079 0.67 DNM1 (0.44) MEN1KMT2A
SCHEMBL7280161 0.67 ALDH1A1 (0.39) ITGB3ITGA2BBLMMEN1KMT2A
SCHEMBL4422080 0.67 MAPT (0.37) ITGB3ITGA2BGNPATSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671622-B1 Hair protein assay method OREAL (FR) 2009-04-08 EP claimed
US-20060140893-A1 Assay of hair proteins L'OREAL (FR) 2006-06-29 US claimed