SCHEMBL20280975

SCHEMBL20280975

O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)CN(CCN(CC(O)CN2CCN(CC(=O)O)CCN(C(=O)O)CCN(CC(=O)O)CC2)C(COCCOCCO)COCCOCCO)C(COCCOCCO)COCCOCCO)CCN(CC(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21618567 0.95 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20281066 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280652 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL21618568 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280876 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280976 0.86 TSHR (0.42) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280430 0.85 KDM4E (0.34) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL22730605 0.85 KDM4E (0.34) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL18970212 0.85 KDM4E (0.34) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL20281055 0.85 KDM4E (0.34) ALDH1A1KDM4EUSP2ALOX15

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
WO-2018108780-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2018-06-21 WO disclosed