SCHEMBL9316804

SCHEMBL9316804

COc1ccc2[nH]c(C(CCN)C(=O)O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.50
PDGFRA P16234 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6859892 0.79 PTGS2 (0.57) PDGFRBPDGFRAKDM4EALDH1A1POLB
SCHEMBL9316811 0.78 PDGFRB (0.50) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL9594608 0.78 PDGFRB (0.50) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL10435155 0.72 AXL (0.57) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL12356941 0.72 AXL (0.61) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL30176381 0.72 AXL (0.61) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL16756014 0.72 AXL (0.53) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL8761856 0.71 AXL (0.56) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL8760755 0.70 LOXL2 (0.56) PDGFRBPDGFRALOXL2KDM4EALDH1A1
SCHEMBL335235 0.69 PDGFRB (0.79) PDGFRBPDGFRAKDM4EALDH1A1POLB

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-5278166-A 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed