SCHEMBL7200795

SCHEMBL7200795

NC(=O)C(CCCCS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 5/20 0.55
PADI4 Q9UM07 5/20 0.55
PADI2 Q9Y2J8 4/20 0.55
PDE4A P27815 3/20 0.55
PADI3 Q9ULW8 3/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
PADI6 Q6TGC4 1/20 0.55
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
CA2 P00918 2/20 0.47
HPGDS O60760 2/20 0.47
MAPT P10636 1/20 0.47
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL7199412 0.99 PADI1 (0.54) PADI1PADI4PADI2PDE4APADI3
SCHEMBL28281357 0.81 HPGDS (0.67) PADI1PADI4PADI2PDE4APADI3
SCHEMBL2569798 0.81 HPGDS (0.67) PADI1PADI4PADI2PDE4APADI3
SCHEMBL4181143 0.78 PADI1 (0.62) PADI1PADI4PADI2PDE4APADI3
SCHEMBL18395838 0.76 PADI1 (0.57) PADI1PADI4PADI2PDE4APADI3
SCHEMBL28108803 0.75 HPGDS (0.69) PADI1PADI4PADI2PDE4APADI3
SCHEMBL10518630 0.75 HPGDS (0.69) PADI1PADI4PADI2PDE4APADI3
SCHEMBL158990 0.74 PADI1 (0.60) PADI1PADI4PADI2PDE4APADI3
SCHEMBL10946109 0.74 PADI1 (0.60) PADI1PADI4PADI2PDE4APADI3
SCHEMBL13697775 0.73 HPGDS (0.71) PADI1PADI4PADI2PDE4APADI3

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
US-6555584-B1 Acetyl-coa carboxylase inhibitors AJINOMOTO CO., INC. (JP) 2003-04-29 US disclosed