SCHEMBL28558401

SCHEMBL28558401

NCCCCCC(N)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.47
▸ GSR P00390 1/20 0.47
▸ CPB2 Q96IY4 3/20 0.42
▸ RNPEP Q9H4A4 1/20 0.42
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ SUCNR1 Q9BXA5 2/20 0.36
▸ GNPAT O15228 1/20 0.36
▸ GNAI3 P08754 1/20 0.36

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
SCHEMBL6152930 0.84 GSR (0.52) FOLH1GSRCPB2RNPEPSLC6A5
SCHEMBL7262078 0.79 SLC6A5 (0.49) FOLH1GSRCPB2RNPEPSLC6A5
SCHEMBL16295148 0.79 GSR (0.65) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL28266171 0.77 FOLH1 (0.56) FOLH1GSRCPB2RNPEPMEN1
Ethylenediamine SCHEMBL20954155 0.76 CA2 (0.42) FOLH1LMNAGNPAT
SCHEMBL30254803 0.75 GSR (0.55) FOLH1GSRCPB2RNPEPMMP2
SCHEMBL29775136 0.75 GSR (0.55) FOLH1GSRCPB2RNPEPMMP2
SCHEMBL26555615 0.75 GSR (0.55) FOLH1GSRCPB2RNPEPMMP2
SCHEMBL18263221 0.75 GSR (0.55) FOLH1GSRCPB2RNPEPMMP2
SCHEMBL20844296 0.75 FOLH1 (0.76) FOLH1CPB2SLC6A5GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112675314-B Bone-targeting nano micelle delivery system and preparation method thereof 中国药科大学 2023-02-24 — — CN disclosed
CN-112675314-A Bone-targeting nano micelle delivery system and preparation method thereof 中国药科大学 2021-04-20 — — CN disclosed
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