SCHEMBL8735683

SCHEMBL8735683

CCOP(=O)(COS(=O)(=O)c1c(C)cccc1SC)OCC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 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
SCHEMBL8734617 0.91 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4HPGD
SCHEMBL8731896 0.89 ACHE (0.31) HPGDNPSR1MAPTL3MBTL1KCNH2
SCHEMBL8732260 0.87 LMNA (0.32) ALDH1A1TSHRCYP3A4HPGDLMNA
SCHEMBL8735582 0.86 KAT6A (0.31) LMNANPSR1KCNH2
SCHEMBL8735014 0.85 LMNA (0.33) ALDH1A1TSHRLMNA
SCHEMBL8732683 0.84 L3MBTL1 (0.31) LMNANPSR1MAPTTDP1L3MBTL1
SCHEMBL8732002 0.83 STK10 (0.31)
SCHEMBL8732619 0.83 MAPT (0.36) ALDH1A1TSHRLMNANPSR1MAPT
SCHEMBL8734627 0.82 SLC40A1 (0.33) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL8732665 0.81

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
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed