SCHEMBL28527050

SCHEMBL28527050

C=CCNC(C)C(C(=O)O)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL28481491 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28246202 0.77 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL4949047 0.76 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL725364 0.72 — —
SCHEMBL253527 0.72 — —
SCHEMBL905194 0.72 — —
Water SCHEMBL23295864 0.71 ALDH1A1 (0.37) ALDH1A1KMT2A
Methane SCHEMBL8576129 0.71 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL27489343 0.71 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL4940686 0.71 SLC6A4 (0.38) 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
CN-112469385-A Foaming composition 莱雅公司 2021-03-09 — — CN disclosed
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