SCHEMBL8893538

SCHEMBL8893538

O=[C]CN(CCN(CCN(CC(=O)O)CC(=O)N1CCOCC1)CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ EYA2 O00167 1/20 0.39
▸ APP P05067 1/20 0.39
▸ ACE P12821 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
SCHEMBL8893857 0.90 TSHR (0.52) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL5866044 0.90 TSHR (0.52) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL8893554 0.82 TDP1 (0.43) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL9715182 0.79 FKBP1A (0.46) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL5551298 0.78 TDP1 (0.68) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL5590779 0.76 TDP1 (0.64) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL1051779 0.75 ALOX15 (0.44) ALOX15TSHRKDM4ELMNAL3MBTL1
SCHEMBL15499808 0.70 TDP1 (0.50) TDP1ALOX15TSHRKDM4ELMNA
SCHEMBL15499809 0.70 TDP1 (0.50) TDP1ALOX15TSHRKDM4ELMNA
Edetic Acid SCHEMBL11141449 0.69 TDP1 (0.74) TDP1ALOX15TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681544-A Polymer-bonded complexing agents, their complexes and conjugates, processes for their production and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-28 — — US disclosed
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