SCHEMBL11039366

SCHEMBL11039366

CCC(C(=O)O)N(O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.33
FFAR3 O14843 1/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
ADRA1A P35348 2/20 0.32
DRD3 P35462 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL786542 0.98 TDP1 (0.32) TDP1FFAR3EYA2APPACE
SCHEMBL1419033 0.98 TDP1 (0.32) TDP1FFAR3EYA2APPACE
SCHEMBL786771 0.98 TDP1 (0.32) TDP1FFAR3EYA2APPACE
Hydrochloric Acid SCHEMBL10890767 0.96 TDP1 (0.31) TDP1FFAR3EYA2APPACE
Nitrilotriacetic Acid SCHEMBL10898452 0.94 TDP1 (0.39) TDP1EYA2APPACEADRA1A
SCHEMBL3728136 0.81 CHRM1 (0.33) TDP1FFAR3ADRA1ADRD3SLC6A3
SCHEMBL957226 0.79 FFAR3 (0.35) TDP1FFAR3EYA2APPACE
SCHEMBL215964 0.79 FFAR3 (0.35) TDP1FFAR3EYA2APPACE
SCHEMBL20988159 0.76 FFAR3 (0.36) TDP1FFAR3EYA2APPACE
SCHEMBL1745549 0.76 ADRA2A (0.32) TDP1FFAR3EYA2APPACE

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
CN-1104490-C Warewashing system containing nonionic surfactant that performs both cleaning and sheeting function and method of warewashing ECOLAB INC (US) 2003-04-02 CN disclosed
US-4489042-A URANIUM ORE, SOLUBILIZING PYRITES MOBIL OIL CORPORATION (US) 1984-12-18 US disclosed