SCHEMBL30218436

SCHEMBL30218436

O=C(O)CN1CCNCCN(CC(=O)O)CCN(Cc2cccc(C(=O)O)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.51
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
SIGMAR1 Q99720 1/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GNE Q9Y223 1/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21043982 1.00 CXCR4 (0.51) CXCR4KDM5CKDM4CSIGMAR1FAAH
SCHEMBL19013529 0.94 CXCR4 (0.57) CXCR4KDM5CKDM4CSIGMAR1FAAH
SCHEMBL30218444 0.92 KDM4E (0.46) CXCR4FAAHKDM4EALOX15TSHR
SCHEMBL21044050 0.92 KDM4E (0.46) CXCR4FAAHKDM4EALOX15TSHR
SCHEMBL17708319 0.92 CXCR4 (0.58) CXCR4KDM5CKDM4CSIGMAR1FAAH
SCHEMBL23779997 0.92 KDM4E (0.46) CXCR4FAAHKDM4EALOX15TSHR
SCHEMBL9282639 0.92 KDM4E (0.46) CXCR4FAAHKDM4EALOX15TSHR
SCHEMBL23780012 0.91 CXCR4 (0.61) CXCR4KDM5CKDM4CSIGMAR1FAAH
SCHEMBL16705677 0.91 CXCR4 (0.61) CXCR4KDM5CKDM4CSIGMAR1FAAH
SCHEMBL17805277 0.88 CXCR4 (0.51) CXCR4KDM5CKDM4CSIGMAR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN claimed
CN-115836137-A Separation of rare earth elements 阳光科技公司 2023-03-21 CN claimed
EP-4127255-A1 SEPARATION OF RARE EARTH ELEMENTS SHINE Technologies, LLC (US) 2023-02-08 EP claimed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN disclosed
CN-115836137-A Separation of rare earth elements 阳光科技公司 2023-03-21 CN disclosed