SCHEMBL28530635

SCHEMBL28530635

CCCCOC(=O)C(C)(C)N=NC(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.41
NAAA Q02083 1/20 0.40
TSHR P16473 4/20 0.39
HPGD P15428 1/20 0.39
DGKA P23743 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.34
ESR1 P03372 3/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL4157874 0.93 ALDH1A1 (0.50) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL4157878 0.93 ALDH1A1 (0.50) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL28527730 0.89 HCAR2 (0.37) ALDH1A1HCAR2NAAATSHRDGKA
SCHEMBL7575644 0.87 NAAA (0.48) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL7575650 0.87 NAAA (0.48) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL28811188 0.85 NAAA (0.52) ALDH1A1HCAR2NAAATSHRDGKA
SCHEMBL11208257 0.85 NAAA (0.52) ALDH1A1HCAR2NAAATSHRDGKA
SCHEMBL11725731 0.81 MGAM (0.39) ALDH1A1HCAR2TSHRLMNACYP1A2
SCHEMBL3937564 0.81 MGAM (0.39) ALDH1A1HCAR2TSHRLMNACYP1A2
SCHEMBL7594095 0.81 HCAR2 (0.38) ALDH1A1ATMHCAR2TSHRTDP1

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-110885401-B Copolymer, curable resin composition containing same, and cured product thereof 株式会社大赛璐 2023-06-13 CN disclosed
CN-108250369-B Preparation method of low-odor high-weather-resistance polymer polyol 万华化学集团股份有限公司 2021-03-09 CN disclosed