SCHEMBL28200944

SCHEMBL28200944

C=C(C)C(=O)OC(C)C(CO)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.36
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
TSHR P16473 1/20 0.33
GGT1 P19440 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
BLM P54132 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30

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
SCHEMBL28282180 0.83 SLC37A4 (0.34) SLC37A4MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL1276039 0.82 SLC37A4 (0.38) SLC37A4MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL28097677 0.79 SLC37A4 (0.46) SLC37A4MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL29046903 0.78 CYP3A4 (0.35) SLC37A4ALDH1A1HSD17B10TSHR
SCHEMBL27719852 0.77 ALDH1A1 (0.35) SLC37A4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2157169 0.77 SLC37A4 (0.40) SLC37A4MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL27706308 0.76 POLB (0.38) SLC37A4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL18815946 0.76 SLC37A4 (0.38) SLC37A4MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL244340 0.73 PRKCG (0.36) SLC37A4MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL28146853 0.73 TSHR (0.41) SLC37A4MAPK1ALDH1A1KDM4EHSD17B10

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-103666105-B Composition for ink jet recording, ink jet recording method and printed article 富士胶片株式会社 2018-04-27 CN disclosed
CN-105101935-B Curable composition 可乐丽则武齿科株式会社 2018-02-23 CN disclosed