SCHEMBL7717708

SCHEMBL7717708

CCN(CC(=O)O)OCCON(CC)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.37
PMP22 Q01453 2/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR3 O14843 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL30963050 0.86 FFAR3 (0.35) BLMPMP22HSD17B10FFAR3TDP1
SCHEMBL8048010 0.85 BLM (0.42) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL345325 0.84 PLA2G2A (0.46) BLMHSD17B10TDP1APPALOX15
SCHEMBL7720623 0.84 TSHR (0.33) BLMPMP22HSD17B10FFAR3TDP1
SCHEMBL10171287 0.81 BLM (0.37) BLMPMP22HSD17B10FFAR3TDP1
SCHEMBL158008 0.78 BLM (0.54) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL598205 0.78
SCHEMBL10351459 0.76 FFAR3 (0.42) HSD17B10FFAR3TDP1APPLMNA
SCHEMBL9093646 0.75 BLM (0.39) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL3338460 0.75 FFAR3 (0.38) BLMPMP22HSD17B10FFAR3TDP1

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
US-20020187558-A1 Method for determining the amount of metal in water and kit therefor ADVANCED EXPLORATION & RESEARCH, INC. 2002-12-12 US disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed