SCHEMBL28023748

SCHEMBL28023748

O=C(O)CC(O)(CC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 10/20 0.56
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 3/20 0.45
ASAH1 Q13510 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
GMNN O75496 1/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6600932 0.91 ALDH1A1 (0.52) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL28299869 0.91 ALDH1A1 (0.56) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL28105443 0.89 ALDH1A1 (0.50) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
Ammonia Solution, Strong SCHEMBL21219130 0.89 ALDH1A1 (0.50) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL27589888 0.89 ALDH1A1 (0.50) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL2169485 0.84 ALDH1A1 (0.48) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
Ammonia Solution, Strong SCHEMBL21219126 0.84 CYP19A1 (0.45) SLC13A5ALDH1A1MEN1KMT2ALMNA
Citric Acid SCHEMBL28313541 0.83 SLC13A5 (0.69) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL27798063 0.83 ALDH1A1 (0.47) SLC13A5ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL28861794 0.83 ALDH1A1 (0.47) SLC13A5ALDH1A1CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104701561-B Photoelectric-microbiological composite anode microbial fuel cell and method for processing domestic sewage by using microbial fuel cell 浙江工商大学 2017-03-22 CN disclosed
CN-204424374-U A kind of photoelectricity-microbe composite anode microbiological fuel cell UNIV ZHEJIANG GONGSHANG 2015-06-24 CN disclosed
CN-104701561-A Photoelectric-microbiological composite anode microbial fuel cell and method for processing domestic sewage by using microbial fuel cell UNIV ZHEJIANG GONGSHANG 2015-06-10 CN disclosed