SCHEMBL8729647

SCHEMBL8729647

COc1ccc(C(=O)CC(=O)C2CC2)cc1S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL997219 0.78 SMN1; SMN2 (0.53) SMN1; SMN2PKMNPSR1MAPTKMT2A
SCHEMBL11265480 0.78 SMN1; SMN2 (0.53) SMN1; SMN2PKMNPSR1MAPTPOLB
SCHEMBL8729586 0.76 SMN1; SMN2 (0.57) SMN1; SMN2PKMNPSR1MAPTKMT2A
Hydrochloric Acid SCHEMBL11265185 0.75 SMN1; SMN2 (0.47) SMN1; SMN2PKMNPSR1MAPTKMT2A
SCHEMBL11264181 0.74 SMN1; SMN2 (0.59) SMN1; SMN2PKMNPSR1MAPTKMT2A
SCHEMBL2565798 0.74 PKM (0.73) SMN1; SMN2PKMNPSR1MAPTKMT2A
SCHEMBL8727390 0.74 SMN1; SMN2 (0.40) SMN1; SMN2PKMNPSR1MAPTKMT2A
SCHEMBL8727394 0.74 SMN1; SMN2 (0.40) SMN1; SMN2PKMNPSR1MAPTKMT2A
SCHEMBL20647826 0.73 SMN1; SMN2 (0.57) SMN1; SMN2PKMNPSR1MAPTL3MBTL1
SCHEMBL31401229 0.73 PKM (0.58) SMN1; SMN2PKMNPSR1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625508-B1 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-08-19 EP disclosed
EP-0625508-A2 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed