SCHEMBL774482

SCHEMBL774482

CCC(C)(C)C(=O)OCCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
FKBP1A P62942 8/20 0.52
MTOR P42345 1/20 0.52
FKBP4 Q02790 1/20 0.52
FKBP5 Q13451 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRNA7 P36544 1/20 0.45
TBXAS1 P24557 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 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
SCHEMBL774152 0.92 FKBP1A (0.60) RIPK1FKBP1AMTORFKBP4FKBP5
SCHEMBL24160987 0.87 CHRNA7 (0.48) FKBP1AL3MBTL1TDP1CHRNA7TBXAS1
SCHEMBL12934601 0.86 RIPK1 (0.57) RIPK1FKBP1AMTORFKBP4FKBP5
SCHEMBL16625742 0.82 CHRM5 (0.40) RIPK1FKBP1AMTORFKBP4FKBP5
SCHEMBL12934612 0.82 L3MBTL1 (0.64) L3MBTL1TDP1NPC1
SCHEMBL1606962 0.82 RIPK1 (0.49) RIPK1FKBP1AL3MBTL1TDP1NPC1
SCHEMBL9668489 0.80 RIPK1 (0.50) RIPK1
SCHEMBL29790231 0.80 RIPK1 (0.50) RIPK1
SCHEMBL27573606 0.80 CHRNA7 (0.50) L3MBTL1TDP1CHRNA7TBXAS1
SCHEMBL27558663 0.79 MEN1 (0.55) L3MBTL1TDP1CHRNA7TBXAS1

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
US-20120067236-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND RELIEF PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed