SCHEMBL3830833

SCHEMBL3830833

O=C(OCOCCN1CCOCC1)OCOCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
GLA P06280 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3830838 0.88 GLA (0.49) ATMCHRM2CHRM1GLAALDH1A1
SCHEMBL166860 0.85 ATM (0.57) ATMGLAALDH1A1LMNAKMT2A
SCHEMBL13086293 0.79 CHRM2 (0.40) ATMCHRM2CHRM1ALDH1A1KDM4E
SCHEMBL111438 0.78 TSHR (0.58) CHRM2CHRM1GLAALDH1A1KDM4E
SCHEMBL20123359 0.77 ATM (0.50) ATMGLAALDH1A1KDM4ELMNA
SCHEMBL15142912 0.77 TSHR (0.51) ATMALDH1A1KDM4ELMNAKMT2A
SCHEMBL8267288 0.76 GLA (0.56) ATMGLAALDH1A1KDM4EKMT2A
SCHEMBL7106263 0.76 TSHR (0.61) CHRM2CHRM1ALDH1A1KDM4ELMNA
SCHEMBL65273 0.76 TDP1 (0.55) ATMGLAALDH1A1KDM4ELMNA
SCHEMBL166861 0.76 ALDH1A1 (0.56) ATMGLAALDH1A1KDM4ELMNA

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