SCHEMBL27995293

SCHEMBL27995293

CC(C)C(N)C(=O)OC(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 4/20 0.48
KMT2A Q03164 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL27851778 0.84 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL811679 0.83 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL27717845 0.81 L3MBTL1 (0.56) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL6483049 0.81 TSHR (0.47) ALDH1A1MAPTLMNAKMT2ATDP1
SCHEMBL25288322 0.80 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL14523604 0.80 F7 (0.55) ALDH1A1MAPTLMNAKMT2ATDP1
SCHEMBL14074316 0.80 F7 (0.55) ALDH1A1MAPTLMNAKMT2ATDP1
SCHEMBL10620479 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL31648307 0.79 ALDH1A1 (0.71) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL30659698 0.79 ALDH1A1 (0.71) ALDH1A1L3MBTL1MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104788440-A Nicotinic acid derivative and application thereof UNIV SOOCHOW 2015-07-22 CN disclosed
CN-102559207-B Liquid crystal aligning agent, polymer, method for producing polymer, liquid crystal alignment film and liquid crystal display device JSR CORP 2015-01-14 CN disclosed