SCHEMBL23401418

SCHEMBL23401418

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
APAF1 O14727 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL23400861 0.82 ADORA2A (0.41) APAF1
SCHEMBL27147487 0.81 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL23400717 0.80 APAF1 (0.44) SMN1; SMN2APAF1NPC1RAB9A
SCHEMBL23400028 0.79 ADORA2A (0.44) APAF1
SCHEMBL23398721 0.78
SCHEMBL23402565 0.78 KDM4E (0.33)
SCHEMBL23402492 0.77 SMN1; SMN2 (0.41) SMN1; SMN2APAF1NPC1RAB9A
SCHEMBL23399449 0.77 SMN1; SMN2 (0.34) SMN1; SMN2APAF1
SCHEMBL23399258 0.77 ADORA2A (0.35)
SCHEMBL23402800 0.77

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