SCHEMBL10620306

SCHEMBL10620306

CCCCCCCCCCCCCCCCCC(=O)OC(N)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.54
S1PR2 O95136 2/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 1/20 0.51
LMNA P02545 2/20 0.46
MGLL Q99685 1/20 0.46
EPHX2 P34913 1/20 0.46
HPGD P15428 1/20 0.45
CSNK1E P49674 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
FAAH O00519 2/20 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
SCHEMBL15989107 0.94 TLR2 (0.48) TLR2S1PR2S1PR1S1PR3MGLL
SCHEMBL4744749 0.89 ANPEP (0.46) MGLLKMT2AMAPK1FAAH
SCHEMBL19618808 0.84 TLR2 (0.49) TLR2S1PR2S1PR1S1PR3LMNA
SCHEMBL15989153 0.80 KDM4E (0.49) TLR2CSNK1EMEN1KMT2A
SCHEMBL21257004 0.80 ALDH1A1 (0.55) TLR2S1PR2S1PR1S1PR3LMNA
SCHEMBL29053791 0.80 ALDH1A1 (0.55) TLR2S1PR2S1PR1S1PR3LMNA
SCHEMBL6303614 0.79 LMNA (0.61) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL10735882 0.79 LMNA (0.61) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL7157840 0.79 LMNA (0.61) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL10885732 0.79 LMNA (0.61) LMNAMEN1KMT2AMAPTMAPK1

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-1988002253-A1 COATING MEMBRANE AND COMPOSITIONS PREPARED THEREFROM VALDUCCI ROBERTO (IT) 1988-04-07 WO claimed