SCHEMBL23403152

SCHEMBL23403152

CCCn1[nH]c(C(C)C)c(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ DAO P14920 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
SCHEMBL23398604 0.89 PDE4A (0.38) ALDH1A1
SCHEMBL23401086 0.84 — —
SCHEMBL23402706 0.79 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL23400855 0.79 TYMP (0.33) ALDH1A1
SCHEMBL23403155 0.78 SMN1; SMN2 (0.38) ALDH1A1DAO
SCHEMBL23402697 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23401326 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL23401409 0.77 HTT (0.35) ALDH1A1DAO
SCHEMBL23400745 0.75 NOX4 (0.32) —
SCHEMBL23400523 0.74 ALDH1A1 (0.35) 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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
Send feedback