SCHEMBL4646985

SCHEMBL4646985

[CH2]CCC(=O)OC(=O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 7/20 0.50
LMNA P02545 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46

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
SCHEMBL4644308 0.91 ALDH1A1 (0.51) ALDH1A1KMT2ALMNATDP1MAPK1
SCHEMBL4641800 0.87 ALDH1A1 (0.57) ALDH1A1KMT2ALMNATDP1MAPK1
SCHEMBL27623813 0.86 ALDH1A1 (0.56) ALDH1A1KMT2ALMNATDP1L3MBTL1
SCHEMBL25346540 0.84 ALDH1A1 (0.54) ALDH1A1KMT2ALMNATDP1L3MBTL1
SCHEMBL23069546 0.84 L3MBTL1 (0.60) ALDH1A1KMT2ALMNATDP1L3MBTL1
SCHEMBL28631384 0.84 ALDH1A1 (0.50) ALDH1A1KMT2ALMNATDP1MAPK1
SCHEMBL9696285 0.83 ALDH1A1 (0.66) ALDH1A1KMT2ALMNATDP1MAPK1
SCHEMBL17895063 0.83 ALDH1A1 (0.66) ALDH1A1KMT2ALMNATDP1L3MBTL1
SCHEMBL514512 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ALMNATDP1MAPK1
SCHEMBL4996696 0.82 ALDH1A1 (0.64) ALDH1A1KMT2ALMNATDP1L3MBTL1

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