SCHEMBL13538673

SCHEMBL13538673

CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C(=O)C(=NOC(C)=O)C(=O)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3ccccc3-4)cc21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.38
▸ APEX1 P27695 1/20 0.36
▸ PTPN11 Q06124 1/20 0.33

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
SCHEMBL13538685 0.89 PDK2 (0.32) PDK2
SCHEMBL26818789 0.88 PDK2 (0.39) PDK2APEX1
SCHEMBL18235853 0.88 PDK2 (0.39) PDK2APEX1
SCHEMBL24490481 0.88 PDK2 (0.36) PDK2APEX1PTPN11
SCHEMBL14768863 0.86 PDK2 (0.45) PDK2APEX1
SCHEMBL24490462 0.86 PDK2 (0.36) PDK2APEX1PTPN11
SCHEMBL24490485 0.86 PDK2 (0.36) PDK2APEX1PTPN11
SCHEMBL16556664 0.86 PDK2 (0.42) PDK2APEX1
SCHEMBL18122995 0.84 APEX1 (0.38) PDK2APEX1
SCHEMBL3557701 0.83 THRA (0.47) PDK2APEX1

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-20100015352-A1 INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 — — US disclosed
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