SCHEMBL4641797

SCHEMBL4641797

C[CH]C(=O)OC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 8/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 4/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49

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
SCHEMBL31648307 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL30659698 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL2491556 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL5340249 0.83 ALDH1A1 (0.57) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL4646983 0.83 ALDH1A1 (0.57) ALDH1A1KMT2AL3MBTL1MAPTAPP
Ammonia Solution, Strong SCHEMBL28264184 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL27893145 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL27673236 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL2519201 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AL3MBTL1MAPTAPP
SCHEMBL10603067 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1MAPTAPP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed