SCHEMBL7757308

SCHEMBL7757308

O=[C]c1cccc(N2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.55
LMNA P02545 2/20 0.53
AGXT P21549 1/20 0.49
AKR1C3 P42330 2/20 0.47
AR P10275 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
PLOD2 O00469 2/20 0.45
PLOD3 O60568 2/20 0.45
PLOD1 Q02809 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LGMN Q99538 1/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3783100 0.83 DRD2 (0.68) KMOLMNAAGXTARDRD2
SCHEMBL15880884 0.83 LMNA (0.53) KMOLMNAAGXTAKR1C3AR
SCHEMBL27329825 0.81 LMNA (0.71) KMOLMNAAGXTAKR1C3AR
SCHEMBL517732 0.80 LMNA (0.52) LMNAAKR1C3ALDH1A1MAPTHTT
SCHEMBL31337338 0.78 LMNA (0.47) KMOLMNAAGXTAKR1C3AR
SCHEMBL15132416 0.78 LMNA (0.47) KMOLMNAAGXTAKR1C3AR
SCHEMBL2307156 0.77 KMO (0.60) KMOLMNAAGXTAKR1C3AR
SCHEMBL5539261 0.77 AKR1C3 (0.71) KMOLMNAAKR1C3ALDH1A1MAPT
SCHEMBL5539252 0.77 AKR1C3 (0.71) KMOLMNAAKR1C3ALDH1A1MAPT
SCHEMBL29849675 0.76 KMO (0.51) KMOLMNAAGXTAKR1C3AR

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
EP-1080118-A1 NOVEL PHOTOINITIATORS AND APPLICATIONS THEREFOR Kimberly-Clark Worldwide, Inc. (US) 2001-03-07 EP disclosed
WO-1999054363-A1 NOVEL PHOTOINITIATORS AND APPLICATIONS THEREFOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 1999-10-28 WO disclosed