SCHEMBL17448490

SCHEMBL17448490

O=C1c2ccc(OC[C@@H](O)CCO)cc2C2(CCCCC2)c2oc3ccccc3c21

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.82

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
SCHEMBL898850 0.90 ALK (1.00) ALK
SCHEMBL20366570 0.85 ALK (0.83) ALK
SCHEMBL21443242 0.85 ALK (0.83) ALK
SCHEMBL29963132 0.79 ALK (0.66) ALK
SCHEMBL898478 0.79 ALK (0.66) ALK
SCHEMBL10283154 0.78 ALK (1.00) ALK
SCHEMBL898530 0.78 ALK (1.00) ALK
SCHEMBL29963188 0.78 ALK (1.00) ALK
SCHEMBL898567 0.78 ALK (1.00) ALK
SCHEMBL29961926 0.78 ALK (1.00) 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-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed