SCHEMBL11279009

SCHEMBL11279009

CC(=O)C1(C)COC(c2cccs2)OC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
BRD4 O60885 2/20 0.39
TBXAS1 P24557 1/20 0.39
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRDT Q58F21 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL11280178 0.76 MAPT (0.35) MAPK1BRD4TBXAS1ALDH1A1KDM4E
SCHEMBL11268200 0.74 MAPK1 (0.58) MAPK1BRD4SMN1; SMN2MAPT
SCHEMBL11278995 0.73 MAPK1 (0.46) MAPK1BRD4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2041571 0.70 KDM4E (0.42) MAPK1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL7032930 0.69 KCNA4 (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL28919941 0.68 ALDH1A1 (0.39) TBXAS1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL11632510 0.67 IDO1 (0.34) MAPK1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL11636468 0.67 IDO1 (0.34) MAPK1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL11634894 0.67 IDO1 (0.34) MAPK1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL12619945 0.67 SMN1; SMN2 (0.48) BRD4TBXAS1HSD11B1ALDH1A1KDM4E

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-0065197-A1 Substituted 1,3-dioxanes, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1982-11-24 EP disclosed