SCHEMBL28080578

SCHEMBL28080578

O=C(O)c1cc(C(=O)O)cc(-c2cc(C(=O)O)c(-c3cc(C(=O)O)cc(C(=O)O)c3)cc2C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
DDT P30046 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
FOLH1 Q04609 2/20 0.41
TPMT P51580 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CA3 P07451 1/20 0.41
MAPT P10636 1/20 0.41
SELL P14151 1/20 0.41

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
SCHEMBL9878949 0.83 DDT (0.49) DHODHCA12CA1CA2CA7
SCHEMBL15521796 0.82 CA12 (0.48) DHODHCA12CA1CA2CA7
SCHEMBL29516581 0.81 DHODH (0.49) DHODHDDTFOLH1KDM4EKMO
SCHEMBL28257327 0.81 HSD17B10 (0.52) DHODHFOLH1HSD17B10KDM4ESMN1; SMN2
SCHEMBL10064616 0.79 FOLH1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL145349 0.79 DHODH (0.58) DHODHCA12CA1CA2CA7
SCHEMBL31253444 0.79 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL28910860 0.79 DHODH (0.50) DHODHDDTFOLH1ALDH1A1SMN1; SMN2
SCHEMBL28096373 0.79 DDT (0.49) DHODHCA12CA1CA2CA7
SCHEMBL10788188 0.78 FOLH1 (0.47) DHODHDDTFOLH1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110575818-B Carboxyl modified ionic metal organic framework material capable of rapidly, efficiently and selectively adsorbing trace pollutants as well as preparation method and application thereof 杭州电子科技大学 2022-08-23 CN claimed
CN-117285721-A Carboxylated porous aromatic skeleton material and preparation method and application thereof 合肥学院 2023-12-26 CN disclosed
WO-2023162942-A1 ELECTRODE FORMING COMPOSITION 日産化学株式会社 2023-08-31 WO disclosed
CN-105713024-A Zn<II>-based metal-organic framework and preparation method and application thereof 辽宁大学 2016-06-29 CN disclosed