SCHEMBL20280869

SCHEMBL20280869

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL20280987 1.00 KDM4E (0.34) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL20281055 0.97 KDM4E (0.34) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL22730605 0.97 KDM4E (0.34) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL20281041 0.97 KDM4E (0.34) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL20280430 0.97 KDM4E (0.34) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL18970212 0.97 KDM4E (0.34) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL18970285 0.95 KDM4E (0.35) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL18970109 0.95 KDM4E (0.35) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL20281021 0.94 HSD17B10 (0.36) KDM4EUSP2ALDH1A1ALOX15BLM
SCHEMBL20280433 0.94 HSD17B10 (0.36) KDM4EUSP2ALDH1A1ALOX15BLM

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