SCHEMBL31475331

SCHEMBL31475331

NCCN(CCNCC(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL23363236 0.98 REN (0.33) RENMAOAMAOBLMNATHRB
SCHEMBL10060617 0.80 MAOA (0.35) MAOAMAOBLMNATHRBBLM
SCHEMBL29356854 0.78 TDP1 (0.34) MAOAMAOBLMNATHRBBLM
SCHEMBL3985289 0.78 GLRA1 (0.37) LMNATHRBBLMKMT2ANPSR1
SCHEMBL23876518 0.78 ALDH1A1 (0.43) RENLMNAHDAC3HDAC1HDAC2
SCHEMBL23363341 0.76 CA14 (0.42) MAOAMAOBHDAC3HDAC1HDAC2
SCHEMBL5351865 0.76 BLM (0.45) MAOAMAOBLMNATHRBBLM
SCHEMBL13978591 0.74 TDP1 (0.48) MAOAMAOBLMNABLMTSHR
SCHEMBL22649352 0.74 TDP1 (0.48) MAOAMAOBLMNABLMTSHR
SCHEMBL21579787 0.74 MAOA (0.39) MAOAMAOBLMNATHRBBLM

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
CN-119604536-A HER2 binding agents and uses thereof 塞雷乌斯股份有限公司 2025-03-11 CN disclosed