SCHEMBL6236362

SCHEMBL6236362

Nc1ccc(C2OCCCO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
SLC18A3 Q16572 1/20 0.36
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9912110 0.94 ALDH1A1 (0.44) MEN1KMT2AMAPTSLC18A3ALDH1A1
SCHEMBL698809 0.91 MEN1 (0.40) MEN1KMT2AMAPTSLC18A3ALDH1A1
SCHEMBL8935137 0.88 MEN1 (0.38) MEN1KMT2AMAPTSLC18A3ALDH1A1
SCHEMBL9451018 0.88 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5851057 0.77 MEN1 (0.34) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL2633867 0.77 MAPK1 (0.47) MEN1KMT2ASLC18A3ALDH1A1TP53
SCHEMBL511959 0.77 KDM1A (0.40) MEN1KMT2ACYP2C19CYP11B1CYP11B2
SCHEMBL3140395 0.77 MAPT (0.51) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL3083609 0.77 RAB9A (0.44) MEN1KMT2AMAPTSLC18A3ALDH1A1
SCHEMBL9451016 0.77 MEN1 (0.44) MEN1KMT2AMAPTPOLBCYP2C19

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
WO-2005011661-A1 PHARMACEUTICAL AGENTS UNIVERSITY COLLEGE LONDON (GB) 2005-02-10 WO disclosed