SCHEMBL20004806

SCHEMBL20004806

Cc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCC(O)CCO)ccc1C3=O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.67

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
SCHEMBL20366620 1.00 ALK (0.67) ALK
SCHEMBL20004276 0.90 ALK (0.82) ALK
SCHEMBL20366713 0.90 ALK (0.82) ALK
SCHEMBL20004321 0.90 ALK (0.81) ALK
SCHEMBL20004275 0.86 ALK (0.82) ALK
SCHEMBL20366619 0.86 ALK (0.82) ALK
SCHEMBL897685 0.83 ALK (0.71) ALK
SCHEMBL897922 0.83 ALK (0.71) ALK
SCHEMBL898750 0.83 ALK (0.71) ALK
SCHEMBL897923 0.83 ALK (0.71) ALK

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed