SCHEMBL28124019

SCHEMBL28124019

C=CC(=O)OOC(=O)c1ccc(C(=O)OCCCC)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 3/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 4/20 0.44
CYP3A4 P08684 3/20 0.44
TP53 P04637 1/20 0.44
ESR1 P03372 5/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL27421953 0.88 TSHR (0.43) TSHRALDH1A1MAPK1CYP3A4ESR1
SCHEMBL27759432 0.87 ALDH1A1 (0.52) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL28124477 0.85 ALDH1A1 (0.49) TSHRL3MBTL1TDP1HPGDALDH1A1
SCHEMBL27261457 0.85 TSHR (0.61) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL29907811 0.84 ESR1 (0.60) TSHRL3MBTL1TDP1HPGDALDH1A1
SCHEMBL28200911 0.83 ALDH1A1 (0.49) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL27759436 0.83 ALDH1A1 (0.49) TSHRL3MBTL1TDP1HPGDALDH1A1
SCHEMBL27780783 0.83 ALDH1A1 (0.49) TSHRL3MBTL1TDP1HPGDALDH1A1
SCHEMBL31633208 0.82 TSHR (0.61) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL4138132 0.82 TSHR (0.61) TSHRL3MBTL1TDP1MEN1KMT2A

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-106413665-B Adhering method, bonding kit utility and adhesives 德山齿科株式会社 2019-08-13 CN disclosed
CN-106413665-A Bonding method, bonding kit, and bonding material 德山齿科株式会社 2017-02-15 CN disclosed