SCHEMBL5893589

SCHEMBL5893589

O=C(ON1CCOCC1)c1cc(O)cc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
ATM Q13315 1/20 0.40
BRD4 O60885 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PRKDC P78527 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5893722 0.84 NPC1 (0.46) CA12CA1CA2CA9HPGD
SCHEMBL5893393 0.83 ATM (0.57) CA12CA1CA2CA7CA9
SCHEMBL6940955 0.79 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5894123 0.79 ATM (0.54) CA12CA1CA2CA7CA9
SCHEMBL226315 0.77 KMT2A (0.55) HPGDALDH1A1GAANPC1MAPT
Ammonia Solution, Strong SCHEMBL11880905 0.76 KMT2A (0.54) HPGDALDH1A1GAANPC1MAPT
SCHEMBL5893346 0.75 KDM4E (0.45) ATMHPGDALDH1A1ALOX15HSD17B10
SCHEMBL382219 0.75 KDM4E (0.45) HPGDALDH1A1ALOX15MGLLHSD17B10
SCHEMBL28726956 0.75 RAB9A (0.58) HPGDALDH1A1ALOX15MGLLHSD17B10
SCHEMBL28726977 0.75 KMT2A (0.56) HPGDALDH1A1ALOX15MGLLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081984-B1 Non-linear optical devices and materials therefor QINETIQ LIMITED (GB) 2006-07-25 US claimed
EP-1183248-B1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QINETIQ LTD (GB) 2003-06-18 EP claimed
US-7081984-B1 Non-linear optical devices and materials therefor QINETIQ LIMITED (GB) 2006-07-25 US disclosed
US-7081984-B1 Non-linear optical devices and materials therefor QINETIQ LIMITED (GB) 2006-07-25 US disclosed
EP-1183248-B1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QINETIQ LTD (GB) 2003-06-18 EP disclosed
EP-1183248-B1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QINETIQ LTD (GB) 2003-06-18 EP disclosed
EP-1183248-A1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QinetiQ Limited (GB) 2002-03-06 EP disclosed
WO-2000068217-A1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QINETIQ LIMITED (GB) 2000-11-16 WO disclosed