SCHEMBL7081640

SCHEMBL7081640

O=C(OC(=S)OS)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
FFAR1 O14842 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
PLIN1 O60240 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
SCHEMBL7079169 0.81 HPGD (0.36) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6683261 0.80 HPGD (0.46) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6827887 0.79 HPGD (0.37) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL7078392 0.77 HPGD (0.39) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6832557 0.77 HPGD (0.42) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6684101 0.75 IDO1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6688006 0.69 HTR3E (0.34) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL10144329 0.69 TSHR (0.46) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL6968617 0.69 HPGD (0.42) HPGDMAPTHSD17B10SMN1; SMN2MGLL
SCHEMBL12319725 0.69 HPGD (0.42) HPGDMAPTHSD17B10SMN1; SMN2MGLL

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
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed