SCHEMBL3348685

SCHEMBL3348685

COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.73
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 2/20 0.52
ADRB2 P07550 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL14697020 0.85 KMT2A (0.74) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL9436741 0.84 GLA (1.00) GLAALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL14696933 0.84 KMT2A (0.76) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL12097479 0.83 CNR1 (0.66) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL8246909 0.80 GLA (0.51) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL8248648 0.79 FKBP1A (0.59) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL16903503 0.78 ALDH1A1 (0.52) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL24071356 0.77 GLA (0.49) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL16903500 0.77 ALDH1A1 (0.51) GLAALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL6890933 0.77 GAA (0.69) GLAALDH1A1GAANPSR1NPC1

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
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed