SCHEMBL6326840

SCHEMBL6326840

[CH2]c1ccc(OCc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.71
MAPT P10636 7/20 0.71
NPC1 O15118 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
LMNA P02545 2/20 0.59
POLB P06746 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
FFAR1 O14842 1/20 0.55
PARP10 Q53GL7 1/20 0.54
PKM P14618 1/20 0.53
PTPRC P08575 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
MAOB P27338 1/20 0.53
MAPK1 P28482 1/20 0.52

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
SCHEMBL11350421 0.92 RAB9A (0.82) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL10236929 0.92 RAB9A (0.82) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL12086470 0.87 RAB9A (0.80) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL3729907 0.87 NPC1 (0.75) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL11363883 0.86 RAB9A (0.73) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL6959174 0.86 NPC1 (0.73) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL898771 0.86 RXRA (0.77) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL18569721 0.84 LOXL2 (0.75) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL254368 0.84 NPC1 (0.71) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL255214 0.84 NPC1 (0.71) RAB9AMAPTNPC1SMN1; SMN2MEN1

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
US-6841661-B2 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERISITY (US) 2005-01-11 US disclosed
US-6498238-B1 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERSITY 2002-12-24 US disclosed