SCHEMBL31177941

SCHEMBL31177941

CCC1(CC)c2ccccc2-c2ccc(-c3ccccc3C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.48
▸ PDK2 Q15119 3/20 0.44
▸ LTB4R2 Q9NPC1 8/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ BRS3 P32247 1/20 0.40
▸ AGTR1 P30556 1/20 0.40

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
SCHEMBL2129264 0.83 PDK2 (0.44) PDK2
SCHEMBL28055711 0.82 PDK2 (0.51) PDK2APEX1
SCHEMBL19153046 0.81 ESR2 (0.42) PDK2
SCHEMBL12928474 0.80 CDC25B (0.49) PDK2APEX1
SCHEMBL27968523 0.79 PDK2 (0.39) PDK2
SCHEMBL6683913 0.76 PDK2 (0.38) PDK2APEX1
SCHEMBL6680358 0.75 PDK2 (0.39) PDK2APEX1
SCHEMBL13378366 0.75 PDK2 (0.59) PDK2
SCHEMBL31505246 0.75 PDK2 (0.56) PTPN11PDK2FOLH1
SCHEMBL19153156 0.75 PDK2 (0.43) PDK2

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
CN-118879309-A Fluorescent sensing material with hydrodynamic trapping effect, preparation method thereof and application thereof in detecting trace target gas 山东大学 2024-11-01 — — CN disclosed
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