SCHEMBL20124405

SCHEMBL20124405

O=C1C2C3CC(C4CC=CCC43)C2C(=O)N1I

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14276296 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21449886 0.70 ALDH1A1 (0.47) ALDH1A1
SCHEMBL19687882 0.70 KDM4E (0.38) ALDH1A1
SCHEMBL19687881 0.70 KDM4E (0.38) ALDH1A1
SCHEMBL17863555 0.69 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL20257379 0.67 ALDH1A1 (0.61) ALDH1A1
SCHEMBL19607567 0.67 ALDH1A1 (0.61) ALDH1A1
SCHEMBL23881943 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9841259 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20257378 0.64 KMT2A (0.44) ALDH1A1

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-2482978-B1 HETEROGENEOUS RHODIUM METAL CATALYSTS UNIV ALBERTA (CA) 2018-05-09 EP disclosed