SCHEMBL16769228

SCHEMBL16769228

CCC(CO)n1cc(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
JAK2 O60674 14/20 0.42
JAK1 P23458 14/20 0.42
TYK2 P29597 14/20 0.42
JAK3 P52333 14/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
NOS1 P29475 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL12460153 0.90 PDK2 (0.40) ACHEJAK2JAK1TYK2JAK3
SCHEMBL15703086 0.88 ACHE (0.50) ACHEJAK2JAK1TYK2JAK3
SCHEMBL25974815 0.84 ACHE (0.41) ACHEJAK2JAK1TYK2JAK3
SCHEMBL13738735 0.80 ACHE (0.44) ACHEJAK2JAK1TYK2JAK3
SCHEMBL14329354 0.79 ACHE (0.40) ACHEJAK2JAK1TYK2JAK3
SCHEMBL19159430 0.79 ACHE (0.40) ACHEJAK2JAK1TYK2JAK3
SCHEMBL30911116 0.77 JAK2 (0.39) ACHEJAK2JAK1TYK2JAK3
SCHEMBL12093438 0.77 JAK2 (0.39) ACHEJAK2JAK1TYK2JAK3
SCHEMBL19121899 0.75 ACHE (0.51) ACHEJAK2JAK1TYK2JAK3
SCHEMBL15431451 0.75 ACHE (0.41) ACHENOS1

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
EP-2345629-B1 FLUORENE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2015-06-03 EP disclosed