SCHEMBL3830838

SCHEMBL3830838

O=C(O)OCOCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRCP P42785 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL3830833 0.88 ATM (0.48) GLAALDH1A1KDM4EATMCHRM2
SCHEMBL166861 0.85 ALDH1A1 (0.56) GLAALDH1A1KDM4EATML3MBTL1
Hydrochloric Acid SCHEMBL28211357 0.84 ALDH1A1 (0.59) GLAALDH1A1KDM4EATML3MBTL1
SCHEMBL16845053 0.82 KDM4E (0.54) GLAALDH1A1KDM4EATMCHRM2
SCHEMBL13086293 0.81 CHRM2 (0.40) ALDH1A1KDM4EATMCHRM2CHRM1
SCHEMBL8267288 0.79 GLA (0.56) GLAALDH1A1KDM4EATMPOLB
Hydrochloric Acid SCHEMBL9794692 0.77 GLA (0.59) GLAALDH1A1KDM4EATMPOLB
SCHEMBL111438 0.77 TSHR (0.58) GLAALDH1A1KDM4ECHRM2CHRM1
SCHEMBL5116743 0.77 ATM (0.54) GLAALDH1A1ATML3MBTL1KMT2A
SCHEMBL526447 0.76 GLA (0.62) GLAALDH1A1KDM4EATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102158-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS Topo Target A/S (DK) 2009-09-23 EP claimed
WO-2008071387-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS TOPOTARGET A/S (DK) 2008-06-19 WO claimed
EP-2102158-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS Topo Target A/S (DK) 2009-09-23 EP disclosed
WO-2008071387-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS TOPOTARGET A/S (DK) 2008-06-19 WO disclosed