SCHEMBL7905922

SCHEMBL7905922

CC(C)(C)OC(=O)CN(CCCBr)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
EYA2 O00167 1/20 0.42
APP P05067 1/20 0.42
ACE P12821 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL6227790 0.90 TDP1 (0.45) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL2137024 0.87 TDP1 (0.42) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL4621864 0.86 TDP1 (0.58) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL438113 0.86 TDP1 (0.58) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL992084 0.86 TDP1 (0.58) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL7564036 0.84 NR1D1 (0.36) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL18145576 0.84 TDP1 (0.42) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL419703 0.84 TDP1 (0.42) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL19952793 0.83 TDP1 (0.45) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL545038 0.82 NR1D1 (0.36) BLMPMP22TDP1EYA2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876161-B1 CONTRAST MEDIA NYCOMED SALUTAR INC (US) 2001-11-21 EP disclosed
EP-0876161-A2 CONTRAST MEDIA NYCOMED SALUTAR, INC. (US) 1998-11-11 EP disclosed
WO-1997026921-A2 CONTRAST MEDIA NYCOMED SALUTAR INC. (US) 1997-07-31 WO disclosed