SCHEMBL28339293

SCHEMBL28339293

CCCCOC(=O)CO.[Ti]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
NAAA Q02083 1/20 0.56
ATM Q13315 1/20 0.52
DGKA P23743 1/20 0.50
TSHR P16473 5/20 0.48
HPGD P15428 1/20 0.48
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
HTR2C P28335 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.42
DNM1 Q05193 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL164123 0.98
SCHEMBL6535439 0.95 ALDH1A1 (0.56) ALDH1A1NAAAATMDGKATSHR
SCHEMBL11676437 0.95 ALDH1A1 (0.56) ALDH1A1NAAAATMDGKATSHR
Butyl Alcohol SCHEMBL8573339 0.91 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL2220463 0.91 NAAA (0.69) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL115629 0.91 NAAA (0.68) ALDH1A1NAAAATMDGKATSHR
Formic Acid SCHEMBL28214586 0.89 ALDH1A1 (0.56) ALDH1A1NAAAATMDGKATSHR
SCHEMBL11836097 0.89 ALDH1A1 (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL23859900 0.88 NAAA (0.72) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL1548190 0.88 NAAA (0.72) ALDH1A1NAAADGKATSHRRAD52

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-110613616-A 3D printed makeup mask and manufacturing process 西安艾可佳生物科技有限公司 2019-12-27 CN claimed
CN-110613616-A 3D printed makeup mask and manufacturing process 西安艾可佳生物科技有限公司 2019-12-27 CN disclosed