SCHEMBL5501909

SCHEMBL5501909

CCCCCCC1c2ccccc2Oc2cccc(N(CC)CC)c21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 5/20 0.43
GRM7 Q14831 5/20 0.43
GRM1 Q13255 4/20 0.43
GRM4 Q14833 4/20 0.43
GRM5 P41594 2/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP2C19 P33261 1/20 0.35
CCR1 P32246 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
SCHEMBL27732356 0.82 GRM8 (0.47) GRM8GRM7GRM1GRM4GRM5
SCHEMBL21436988 0.81 GRM8 (0.51) GRM8GRM7GRM1GRM4GRM5
SCHEMBL6125509 0.79 KMT2A (0.51) GRM8GRM7GRM1GRM4GRM5
SCHEMBL5502020 0.78 HTR5A (0.37)
SCHEMBL5495275 0.77 KMT2A (0.44) KMT2AMEN1USP2MAPTTSHR
SCHEMBL14152995 0.76 GRM8 (0.43) GRM8GRM7GRM1GRM4GRM5
SCHEMBL28633848 0.74 KMT2A (0.50) GRM8GRM7GRM1GRM4GRM5
SCHEMBL5500670 0.74 MEN1 (0.41) GRM8GRM7KMT2AMEN1USP2
SCHEMBL5501387 0.73 MEN1 (0.40) KMT2AMEN1USP2MAPTTSHR
SCHEMBL3894831 0.72 CYP3A4 (0.38) GRM8GRM7GRM1GRM4GRM5

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
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed