SCHEMBL23401340

SCHEMBL23401340

Cc1nn(C(C)C)c(O)c1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
APAF1 O14727 1/20 0.33
HTT P42858 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL23403245 0.76 ALDH1A1 (0.32) ALDH1A1MAPTHTT
SCHEMBL23399590 0.76
SCHEMBL23398514 0.73 ALDH1A1 (0.36) ALDH1A1MAPTAPAF1HTTPDE1A
SCHEMBL14345080 0.73 ALDH1A1 (0.36) ALDH1A1MAPTPDE1APDE1BPDE1C
SCHEMBL11978835 0.73 ALDH1A1 (0.36) ALDH1A1MAPTPDE1APDE1BPDE1C
SCHEMBL23400734 0.73 GAA (0.38) ALDH1A1MAPT
SCHEMBL23401235 0.73 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL23402547 0.73
SCHEMBL23403115 0.73 ALDH1A1 (0.33) ALDH1A1MAPTHTT
SCHEMBL23400364 0.72 KDM4E (0.39) KDM4E

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