SCHEMBL7705689

SCHEMBL7705689

O=C(O)CN(CC(=O)O)C1CCCCCC1N(CC(=O)O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL21848627 0.98 TDP1 (0.42) TDP1EYA2APPACELMNA
SCHEMBL1477656 0.98 TDP1 (0.42) TDP1EYA2APPACELMNA
SCHEMBL93743 0.98 TDP1 (0.42) TDP1EYA2APPACELMNA
SCHEMBL641988 0.98 TDP1 (0.42) TDP1EYA2APPACELMNA
SCHEMBL367170 0.98 TDP1 (0.42) TDP1EYA2APPACELMNA
Water SCHEMBL303864 0.95 TDP1 (0.40) TDP1EYA2APPACELMNA
Water SCHEMBL1825839 0.95 TDP1 (0.40) TDP1EYA2APPACELMNA
SCHEMBL643078 0.93 TDP1 (0.36) TDP1EYA2APPACELMNA
SCHEMBL19962167 0.91 TDP1 (0.42) TDP1EYA2APPACELMNA
SCHEMBL19962832 0.91 TDP1 (0.42) TDP1EYA2APPACELMNA

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-6350614-B1 SYSTEM FOR MONITORING AND CONTROLLING, THROUGH AUTOMATICALLY ACTIVATED QUENCHING SYSTEM, EXCESSIVE THERMAL BUILD-UP IN ION EXCHANGE PROCESS TREATING LIQUID CONTAINING SUBSTANCE CAPABLE OF UNDERGOING EXOTHERMIC REACTION CONCEPT SCIENCES, INC 2002-02-26 US disclosed
EP-0055028-B1 WATER-SOLUBLE POLYSACCHARIDES AND DIAGNOSTIC RADIO-LABELLED DERIVATES THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-02-19 EP disclosed
US-4385046-A FOR BLOOD CLOTS IN THE VASCULAR SYSTEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-05-24 US disclosed