SCHEMBL30079151

SCHEMBL30079151

COC(=O)c1ccc(-c2nc(-c3ccc(C(=O)OC)cc3)c(-c3ccc(C(=O)OC)cc3)nc2-c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA7 P43166 1/20 0.57
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51

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
SCHEMBL8018992 0.87 ALDH1A1 (0.60) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL12111520 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL19387238 0.84 CA1 (0.70) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.84 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL28704033 0.84 CA1 (0.76) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.82 CA1 (0.67) CA1CA2CA12CA9CA14
SCHEMBL28993944 0.82 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL23600 0.82 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL24515181 0.80 CA1 (0.64) CA1CA2CA12CA9CA14
SCHEMBL12111680 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798702-B Aggregation-induced emission metal organic framework, preparation method thereof and application thereof in portable detection of low-concentration nitrobenzene 辽宁大学 2026-05-19 CN claimed
CN-119798702-A Aggregation-induced emission metal organic framework, preparation method thereof and application thereof in portable detection of low-concentration nitrobenzene 辽宁大学 2025-04-11 CN claimed
CN-115353636-B Eu-metal organic framework material and preparation method, application and detection method thereof 军事科学院军事医学研究院环境医学与作业医学研究所 2023-12-15 CN claimed
CN-115353636-A Eu-metal organic framework material and preparation method, application and detection method thereof 军事科学院军事医学研究院环境医学与作业医学研究所 2022-11-18 CN claimed
CN-119798702-B Aggregation-induced emission metal organic framework, preparation method thereof and application thereof in portable detection of low-concentration nitrobenzene 辽宁大学 2026-05-19 CN disclosed
CN-119798702-A Aggregation-induced emission metal organic framework, preparation method thereof and application thereof in portable detection of low-concentration nitrobenzene 辽宁大学 2025-04-11 CN disclosed
CN-115353636-B Eu-metal organic framework material and preparation method, application and detection method thereof 军事科学院军事医学研究院环境医学与作业医学研究所 2023-12-15 CN disclosed
CN-115353636-A Eu-metal organic framework material and preparation method, application and detection method thereof 军事科学院军事医学研究院环境医学与作业医学研究所 2022-11-18 CN disclosed