SCHEMBL27624628

SCHEMBL27624628

CC(NC(CCS)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FOLH1 Q04609 6/20 0.36
MME P08473 5/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31510814 0.85 ACE (0.42) ACEKDM4EMAPTTHRBALOX15
SCHEMBL313185 0.83 ACE (0.41) ACEKDM4EMAPTTHRBALOX15
SCHEMBL6552340 0.83 KDM4E (0.54) ACEKDM4EMAPTTHRBALOX15
SCHEMBL3714795 0.83 KDM4E (0.54) ACEKDM4EMAPTTHRBALOX15
SCHEMBL15375770 0.81 CHRM1 (0.44) ACEFOLH1MMENAALAD2ALDH1A1
SCHEMBL5940872 0.81 CHRM1 (0.44) ACEFOLH1MMENAALAD2ALDH1A1
SCHEMBL3836127 0.81 CHRM1 (0.44) ACEFOLH1MMENAALAD2ALDH1A1
SCHEMBL3836129 0.81 CHRM1 (0.44) ACEFOLH1MMENAALAD2ALDH1A1
SCHEMBL27767453 0.81 CHRM1 (0.44) ACEFOLH1MMENAALAD2ALDH1A1
SCHEMBL19521363 0.80 ACE (0.39) ACEKDM4EMAPTTHRBALOX15

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
CN-1756562-A Influenza virus vaccine MERCK & CO INC (US) 2006-04-05 CN disclosed