SCHEMBL23401083

SCHEMBL23401083

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL23401289 0.80
SCHEMBL18704886 0.79 SMN1; SMN2 (0.33) SMN1; SMN2HPGDTDP1
SCHEMBL23400914 0.78
SCHEMBL23399553 0.76
SCHEMBL23400403 0.74 KDM4E (0.32) HPGD
SCHEMBL23401646 0.74 HPGD (0.35) SMN1; SMN2HPGD
SCHEMBL23403245 0.72 ALDH1A1 (0.32)
SCHEMBL23402618 0.72 ADORA2A (0.31)
SCHEMBL23399999 0.72 SMN1; SMN2 (0.32) SMN1; SMN2HPGDTDP1
SCHEMBL23403232 0.72

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