SCHEMBL28130520

SCHEMBL28130520

CC=CC(=O)C(CCCN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.41
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
GABRR1 P24046 3/20 0.38
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
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
SCHEMBL28131142 0.94 GSR (0.47) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL28131214 0.93 GSR (0.46) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL28130420 0.93 GSR (0.46) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL28131140 0.93 GSR (0.46) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL28075191 0.88 GABRR1 (0.45) CPB2GSRRNPEPGABRR1GABBR2
SCHEMBL7541188 0.79 GPR84 (0.50)
SCHEMBL8513310 0.79 GSR (0.39) CPB2GSRRNPEPGABRR1
SCHEMBL13144525 0.78 CHRM1 (0.44) NPSR1TSHRHDAC1HDAC7HDAC2
SCHEMBL15710597 0.76 CPB2 (0.56) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL17335978 0.76 CPB2 (0.44) CPB2GSRRNPEPGABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573999-A Residence structures and related methods 麻省理工学院 2017-04-19 CN claimed
CN-106573015-A enteric elastomer 麻省理工学院 2017-04-19 CN claimed
CN-106714893-A Self-assembled residence devices and related methods 麻省理工学院 2017-05-24 CN disclosed
CN-106573999-A Residence structures and related methods 麻省理工学院 2017-04-19 CN disclosed