SCHEMBL29396372

SCHEMBL29396372

NCCC[C@H](NN[C@H](CCCN)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
CPB2 Q96IY4 5/20 0.48
GSR P00390 1/20 0.46
RNPEP Q9H4A4 1/20 0.45
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
GGT1 P19440 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
GABRR1 P24046 3/20 0.39
GNPAT O15228 1/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL29669470 0.96 FOLH1 (0.58) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL29390540 0.93 FOLH1 (0.59) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL29894486 0.93 FOLH1 (0.59) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL29585858 0.90 FOLH1 (0.49) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL27583930 0.90 FOLH1 (0.49) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL6373385 0.89 FOLH1 (0.47) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL1705338 0.89 FOLH1 (0.47) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL1705339 0.89 FOLH1 (0.47) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL31285810 0.88 FOLH1 (0.44) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL30427337 0.88 FOLH1 (0.44) FOLH1CPB2GSRRNPEPMMP2

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-2022035843-A1 TOPOISOMERASE INHIBITORS NANOMEDICINE INNOVATION CENTER, LLC (US) 2022-02-17 WO disclosed