SCHEMBL23400757

SCHEMBL23400757

Cc1nn(C(C)C)c(C(C)C)c1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL23398514 0.77 ALDH1A1 (0.36) ALDH1A1MAPTHTT
SCHEMBL14345080 0.77 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL14788266 0.76
SCHEMBL23400339 0.76 ADORA2A (0.35)
SCHEMBL23401498 0.74
SCHEMBL14015676 0.74 NR3C1 (0.33)
SCHEMBL23402692 0.74
SCHEMBL23399685 0.74 POLB (0.30)
SCHEMBL23398779 0.72 KDM4E (0.33) KDM4E
SCHEMBL23403245 0.71 ALDH1A1 (0.32) ALDH1A1MAPTHTT

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed