SCHEMBL5685704

SCHEMBL5685704

CCCCS(=O)(=O)n1nnc2cc(C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
GAA P10253 4/20 0.40
TLR8 Q9NR97 2/20 0.40
HCAR3 P49019 3/20 0.39
KCNMA1 Q12791 2/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 3/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL19911477 0.77 SLC9A1 (0.49) SLC9A1GAAKCNMA1POLBALDH1A1
SCHEMBL9800298 0.76 SLC9A1 (0.48) SLC9A1GAAHCAR3KCNMA1POLB
SCHEMBL5716971 0.76 HCAR3 (0.43) SLC9A1GAATLR8HCAR3KCNMA1
SCHEMBL19848522 0.72 SLC9A1 (0.64) SLC9A1TLR8HCAR3POLBMAPT
SCHEMBL19848576 0.71 SLC9A1 (0.69) SLC9A1GAAKCNMA1POLBALDH1A1
SCHEMBL19911487 0.69 SLC9A1 (0.42) SLC9A1GAAKCNMA1POLBALDH1A1
SCHEMBL15185535 0.69 TLR8 (0.42) SLC9A1GAATLR8HCAR3KCNMA1
SCHEMBL19911469 0.68 SLC9A1 (0.62) SLC9A1HCAR3POLBALDH1A1MAPT
SCHEMBL6818371 0.68 KCNMA1 (0.50) GAATLR8HCAR3KCNMA1ALDH1A1
SCHEMBL13523597 0.67 HCAR3 (0.59) SLC9A1GAAHCAR3KCNMA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625240-A1 QUENCHING FLUID COMPOSITION A. & A. FRATELLI PARODI S.R.L. (IT) 2006-02-15 EP claimed
WO-2004099450-A1 QUENCHING FLUID COMPOSITION A. & A. FRATELLI PARODI S.R.L. (IT) 2004-11-18 WO claimed
EP-1625240-A1 QUENCHING FLUID COMPOSITION A. & A. FRATELLI PARODI S.R.L. (IT) 2006-02-15 EP disclosed
WO-2004099450-A1 QUENCHING FLUID COMPOSITION A. & A. FRATELLI PARODI S.R.L. (IT) 2004-11-18 WO disclosed