SCHEMBL6381963

SCHEMBL6381963

COc1ccc(OCCCCN)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
PTPN11 Q06124 4/20 0.47
S1PR3 Q99500 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MELK Q14680 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2448097 0.87 PTPN11 (0.61) KDM4EPOLBPTPN11S1PR3PTPN1
SCHEMBL26212753 0.82 KDM4E (0.52) KDM4EPOLBPTPN11S1PR3ALDH1A1
SCHEMBL3903917 0.80 KDM4E (0.60) KDM4EPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL9185455 0.79 KDM4E (0.59) KDM4EPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL8136068 0.79 KDM4E (0.59) KDM4EPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL4147094 0.79 KDM4E (0.59) KDM4EPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL267614 0.78 KDM4E (0.50) KDM4EPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL503802 0.78 POLB (0.70) KDM4EPOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL35211213 0.78 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6
SCHEMBL26731143 0.78 KDM4E (0.48) KDM4EPOLBPTPN11S1PR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549958-A2 MALDI-MATRIX N.V. Nutricia (NL) 2005-07-06 EP disclosed
WO-2004023147-A2 MALDI-MATRIX N.V. NUTRICIA (NL) 2004-03-18 WO disclosed