SCHEMBL23219632

SCHEMBL23219632

O=C(O)c1cccc(CN2CCCN(Cc3cccc(C(=O)O)n3)CCN(Cc3cccc(C(=O)O)n3)CCCN(Cc3cccc(C(=O)O)n3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CXCR4 P61073 2/20 0.47
FAAH O00519 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL465886 0.95 GNE (0.55) GNEKDM4EALOX15TSHRACMSD
SCHEMBL22424947 0.95 KDM4E (0.53) GNEKDM4EALOX15TSHRACMSD
SCHEMBL2821305 0.95 KDM4E (0.53) GNEKDM4EALOX15TSHRACMSD
SCHEMBL16705655 0.94 GNE (0.46) GNEKDM4EALOX15TSHRACMSD
SCHEMBL30319456 0.94 GNE (0.46) GNEKDM4EALOX15TSHRACMSD
SCHEMBL16705657 0.94 GNE (0.46) GNEKDM4EALOX15TSHRACMSD
SCHEMBL1252421 0.94 GNE (0.54) GNEKDM4EALOX15TSHRACMSD
SCHEMBL21044050 0.88 KDM4E (0.46) GNEKDM4EALOX15TSHRACMSD
SCHEMBL1252458 0.88 MC4R (0.46) GNEKDM4EALOX15TSHRACMSD
SCHEMBL23779997 0.88 KDM4E (0.46) GNEKDM4EALOX15TSHRACMSD

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-10975318-B2 Use of rare earth complexes as markers of petroleum products, crude oils, biofuels or lubricants INOVENTEAM (FR) 2021-04-13 US disclosed