SCHEMBL20210968

SCHEMBL20210968

C=CC(=O)c1ccc(OCCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ALDH5A1 P51649 1/20 0.48
▸ ABAT P80404 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ THRB P10828 7/20 0.46
▸ THRA P10827 6/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PKM P14618 1/20 0.43

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
SCHEMBL14192502 0.91 L3MBTL1 (0.58) L3MBTL1ALDH1A1ALDH5A1ABATGAA
SCHEMBL14192484 0.89 GAA (0.59) L3MBTL1ALDH1A1ALDH5A1ABATGAA
SCHEMBL27424165 0.86 THRB (0.63) L3MBTL1ALDH1A1THRBTHRAABCG2
SCHEMBL6538549 0.83 TP53 (0.64) L3MBTL1THRBTHRAABCG2MEN1
SCHEMBL21049838 0.83 L3MBTL1 (0.49) L3MBTL1ALDH1A1ALDH5A1ABATGAA
SCHEMBL28657555 0.82 TP53 (0.67) GAATHRBTHRAMEN1KMT2A
SCHEMBL14192456 0.80 RARB (0.51) L3MBTL1ALDH1A1GAAHTTTHRB
SCHEMBL10592808 0.80 GAA (0.70) L3MBTL1GAAKMT2APKM
SCHEMBL18481042 0.79 ABCG2 (0.70) ABCG2
SCHEMBL20608176 0.79 ABCG2 (0.70) ABCG2

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-3328871-A1 CROSSLINKING MONOMERS WITH AT LEAST ONE ATOM OF SULPHUR Kulzer GmbH (DE) 2018-06-06 — — EP disclosed
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