SCHEMBL6529147

SCHEMBL6529147

CCOC(=O)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HTT P42858 3/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 4/20 0.62
CTSB P07858 1/20 0.60
VCAM1 P19320 1/20 0.59
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
LGMN Q99538 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 1/20 0.50
S100A4 P26447 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL3435998 0.91 MAPT (0.74) MAPTL3MBTL1HTTTP53ALDH1A1
SCHEMBL8312209 0.87 MAPT (0.72) MAPTL3MBTL1HTTTP53ALDH1A1
SCHEMBL20522603 0.86 MAPT (0.63) MAPTL3MBTL1HTTTP53ALDH1A1
SCHEMBL13648194 0.84 MAPT (0.64) MAPTL3MBTL1HTTTP53ALDH1A1
SCHEMBL3435047 0.84 MAPT (0.69) MAPTHTTTP53ALDH1A1CTSB
SCHEMBL17542826 0.82 LGMN (0.59) MAPTHTTTP53ALDH1A1LGMN
SCHEMBL2041681 0.82 MAPT (0.79) MAPTL3MBTL1ALDH1A1POLBLMNA
SCHEMBL6507535 0.82 LGMN (0.71) MAPTHTTTP53ALDH1A1CTSB
SCHEMBL17305299 0.81 LGMN (0.56) MAPTHTTALDH1A1POLBLGMN
SCHEMBL3436573 0.81 MEN1 (0.61) MAPTHTTTP53ALDH1A1LGMN

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-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed