SCHEMBL8837984

SCHEMBL8837984

O=C(O)CN(CC(=O)O)[C@@H]1CC=CC[C@H]1N(CC(=O)O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 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
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL20506802 0.82 MEN1 (0.41) TDP1KDM4ELMNATSHRSLC6A2
SCHEMBL641400 0.77 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL643078 0.73 TDP1 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL21848627 0.73 TDP1 (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL641988 0.73 TDP1 (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL367170 0.73 TDP1 (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL93743 0.73 TDP1 (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL1477656 0.73 TDP1 (0.42) TDP1EYA2APPACEKDM4E
SCHEMBL7705689 0.71 TDP1 (0.40) TDP1EYA2APPACEKDM4E
Water SCHEMBL1825839 0.71 TDP1 (0.40) TDP1EYA2APPACEKDM4E

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-5635157-A RADIOIMMUNOASSAY BROOKHAVEN SCIENCE ASSOCIATES 1997-06-03 — — US disclosed
US-5292938-A Medical diagnosis; higher and more prolonged tumor uptake, lower retention in kidneys, bones and livers ASSOCIATED UNIVERSITIES, INC. (US) 1994-03-08 — — US disclosed
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