SCHEMBL6526867

SCHEMBL6526867

CCOC(=O)C1CCN(c2cccc(C(C)C)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
LGMN Q99538 2/20 0.59
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.54
KDM4E B2RXH2 3/20 0.54
PDK2 Q15119 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL6502658 0.85 LGMN (0.64) NOTUMLGMNALDH1A1MAPTKDM4E
SCHEMBL18503028 0.85 MAPT (0.65) LGMNALDH1A1MAPTKDM4EPDK2
SCHEMBL1573415 0.84 ALDH1A1 (0.64) NOTUMLGMNALDH1A1MAPTKDM4E
SCHEMBL4949502 0.84 LGMN (0.62) LGMNALDH1A1MAPTKDM4EPDK2
SCHEMBL655166 0.84 LGMN (0.70) LGMNALDH1A1MAPTKDM4EPDK2
SCHEMBL6507338 0.83 LGMN (0.49) NOTUMLGMNALDH1A1MAPTKDM4E
SCHEMBL29838655 0.82 LGMN (0.61) LGMNALDH1A1MAPTKDM4EPDK2
SCHEMBL13896504 0.82 ALDH1A1 (0.69) LGMNALDH1A1MAPTKDM4EPDK2
SCHEMBL6502744 0.82 LGMN (0.61) LGMNALDH1A1MAPTKDM4EPDK2
SCHEMBL14321489 0.82 LGMN (0.61) LGMNALDH1A1MAPTKDM4EPDK2

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