SCHEMBL20280876

SCHEMBL20280876

COCCOCC(COCCOCCO)N(CCN(CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(COCCO)COCCOCCO)CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL21618568 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20281069 0.96 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL21618567 0.95 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20280994 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20281066 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20280652 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20280975 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL21618562 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL21618614 0.80 TSHR (0.46) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20281056 0.79 L3MBTL1 (0.41) 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