SCHEMBL3811046

SCHEMBL3811046

O=C(O)C1(c2ccccc2)CCCCCC1.[NaH]

nearest known ligand 0.92

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.92
HDAC4 P56524 2/20 0.65
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.54
HSD11B1 P28845 3/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TET3 O43151 1/20 0.51
FBXL19 Q6PCT2 1/20 0.51
CXXC5 Q7LFL8 1/20 0.51
TET1 Q8NFU7 1/20 0.51
KDM2B Q8NHM5 1/20 0.51
CXXC4 Q9H2H0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
TSHR P16473 1/20 0.50
HDAC1 Q13547 1/20 0.49

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
SCHEMBL1042420 0.98 AKR1C1 (0.96) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL66387 0.98 AKR1C1 (0.96) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL1041902 0.98 AKR1C1 (0.96) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL19249602 0.98 AKR1C1 (0.96) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL65167 0.96 AKR1C1 (1.00) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
Water SCHEMBL3811044 0.94 AKR1C1 (0.88) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8315894 0.94 AKR1C1 (0.96) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL1667343 0.91 AKR1C1 (0.91) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8105149 0.89 AKR1C1 (0.88) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL11665752 0.89 AKR1C1 (0.88) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2

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-2009139707-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2009-11-19 WO disclosed