SCHEMBL28586017

SCHEMBL28586017

C=C(C)C(=O)OC(C)COOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 4/20 0.40
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34
GGT1 P19440 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
BLM P54132 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
SCN1A P35498 1/20 0.33

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
SCHEMBL194452 0.87 ALDH1A1 (0.56) ALDH1A1TSHRALOX15KDM4ETDP1
SCHEMBL4805290 0.83 ALDH1A1 (0.54) ALDH1A1TSHRALOX15KDM4EHSD17B10
SCHEMBL21378338 0.82 ALDH1A1 (0.45) ALDH1A1TSHRALOX15KDM4EHSD17B10
SCHEMBL2779922 0.82 ALDH1A1 (0.53) ALDH1A1TSHRALOX15KDM4ETDP1
Phthalic Acid SCHEMBL28346932 0.81 ALDH1A1 (0.48) ALDH1A1TSHRALOX15KDM4EHSD17B10
SCHEMBL3915386 0.81 TSHR (0.63) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL36716 0.78 ALDH1A1 (0.48) ALDH1A1TSHRALOX15KDM4EHSD17B10
SCHEMBL696764 0.78 ALDH1A1 (0.51) ALDH1A1TSHRALOX15KDM4EHSD17B10
SCHEMBL9104314 0.78 ALDH1A1 (0.49) ALDH1A1TSHRALOX15KDM4EHSD17B10
SCHEMBL28509921 0.77 ALDH1A1 (0.44) ALDH1A1TSHRALOX15KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107430237-B Curable adhesive composition for polarizing film, polarizing film and method for producing same, optical film, and image display device 日东电工株式会社 2021-06-29 CN disclosed