SCHEMBL29197477

SCHEMBL29197477

CCCCCCCC(=S)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.59
FOLH1 Q04609 1/20 0.51
RIMKLA Q8IXN7 1/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.51
PLA2G2C Q5R387 1/20 0.51
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL308198 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL342881 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL15650316 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL170160 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL15846853 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL318616 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL55273 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL539797 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL15846211 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL55274 0.84 NOD1 (0.82) NOD1FOLH1RIMKLANAALAD2PLA2G2C

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-117587425-A Method for electrochemically preparing poly-lipoic acid and derivatives thereof 吉林大学 2024-02-23 CN disclosed