SCHEMBL5322399

SCHEMBL5322399

C=Cc1ccc(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
EYA2 O00167 1/20 0.45
APP P05067 1/20 0.45
ACE P12821 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL515232 0.93 ALDH1A1 (0.41) TDP1EYA2APPACEKDM4E
SCHEMBL12545554 0.92 MEP1B (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL18460451 0.85 KCNH2 (0.44) TDP1EYA2APPACEKDM4E
SCHEMBL9405391 0.84 CA1 (0.38) TDP1LMNACA1CA2CA12
SCHEMBL17354914 0.84 PSMD14 (0.35) TDP1EYA2APPACELMNA
SCHEMBL13958499 0.83 TDP1 (0.40) TDP1KDM4ECA1CA2
SCHEMBL22147372 0.82 TDP1 (0.47) TDP1EYA2APPACEKDM4E
SCHEMBL14341631 0.82 NR1D1 (0.40) CA1CA2CA4
SCHEMBL14357544 0.81 CA1 (0.38) LMNACYP2C19CA1CA2CA12
SCHEMBL6390256 0.80 ALDH1A1 (0.50) TDP1KDM4ELMNATSHRHRH3

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
US-20070254378-A1 CHELATING MONOMERS AND POLYMERS BIO-RAD LABORATORIES, INC. (US) 2007-11-01 US disclosed
US-20070254378-A1 CHELATING MONOMERS AND POLYMERS BIO-RAD LABORATORIES, INC. (US) 2007-11-01 US disclosed
WO-2007120999-A2 CHELATING MONOMERS AND POLYMERS BIO-RAD LABORATORIES, INC. (US) 2007-10-25 WO disclosed