SCHEMBL29400602

SCHEMBL29400602

COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)O)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ KEAP1 Q14145 5/20 0.38
▸ NFE2L2 Q16236 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ BMP1 P13497 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL29398220 0.93 ALDH1A1 (0.44) FABP5ALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL1740093 0.91 FABP5 (0.38) FABP5ALDH1A1KDM4ELMNAHTT
SCHEMBL1739364 0.90 ALDH1A1 (0.38) FABP5ALDH1A1KDM4ELMNAHTT
SCHEMBL1740136 0.89 ALDH1A1 (0.35) FABP5ALDH1A1KDM4ELMNAHTT
SCHEMBL1737775 0.89 ALDH1A1 (0.38) FABP5ALDH1A1KDM4ELMNAHTT
SCHEMBL1738448 0.84 ALDH1A1 (0.34) FABP5ALDH1A1KDM4ELMNAHTT
SCHEMBL1740574 0.83 ALDH1A1 (0.34) FABP5ALDH1A1KDM4ELMNAHTT
SCHEMBL1738800 0.80 KMT2A (0.38) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1738792 0.78 ALDH1A1 (0.37) FABP5ALDH1A1KDM4ELMNAHTT
SCHEMBL2251219 0.77 ALDH1A1 (0.40) FABP5ALDH1A1KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
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