SCHEMBL6512389

SCHEMBL6512389

Nc1ccc(C(N)C(O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.45
GRM4 Q14833 2/20 0.45
GRM7 Q14831 1/20 0.45
TDP1 Q9NUW8 4/20 0.39
BLM P54132 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
PMP22 Q01453 2/20 0.39
POLB P06746 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
NR1I2 O75469 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL9261826 0.83 CYP2C9 (0.51) BLMLMNAHSD17B10TSHRNFKB1
SCHEMBL487425 0.83 DPP4 (0.56) KDM4ELMNAHIF1AMAPK1ADRA2A
SCHEMBL4073511 0.83 DPP4 (0.56) KDM4ELMNAHIF1AMAPK1ADRA2A
SCHEMBL8058962 0.83 DPP4 (0.56) KDM4ELMNAHIF1AMAPK1ADRA2A
SCHEMBL5860807 0.83 DPP4 (0.56) KDM4ELMNAHIF1AMAPK1ADRA2A
SCHEMBL939042 0.83 DPP4 (0.56) KDM4ELMNAHIF1AMAPK1ADRA2A
SCHEMBL939043 0.83 DPP4 (0.56) KDM4ELMNAHIF1AMAPK1ADRA2A
SCHEMBL9257685 0.82 LMNA (0.43) TDP1BLMKDM4ELMNAPMP22
SCHEMBL7618552 0.82 TPMT (0.40) GRM8GRM4TDP1BLMKDM4E
SCHEMBL7631469 0.82 ANPEP (0.52) GRM8GRM4TDP1HSD17B10TSHR

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-6953798-B1 β-alanine derivates CELLTECH R&D LIMITED (GB) 2005-10-11 US disclosed