SCHEMBL29397771

SCHEMBL29397771

CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.55
▸ ITGA2B P08514 1/20 0.55
▸ MAOB P27338 4/20 0.53
▸ PPARG P37231 4/20 0.51
▸ PPARA Q07869 4/20 0.51
▸ ALOX5 P09917 3/20 0.50
▸ PPARD Q03181 1/20 0.49
▸ YAP1 P46937 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46

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
SCHEMBL16634946 1.00 ITGB3 (0.55) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL6474783 1.00 ITGB3 (0.55) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL18918265 0.91 LTA4H (0.52) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL8765621 0.89 ITGB3 (0.54) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL2476924 0.89 MMP13 (0.46) ITGB3ITGA2B
SCHEMBL1401042 0.89 MMP13 (0.46) ITGB3ITGA2B
SCHEMBL65502 0.89 MMP13 (0.46) ITGB3ITGA2B
SCHEMBL17923777 0.89 ITGB3 (0.48) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL20693061 0.88 MAOB (0.48) ITGB3ITGA2BMAOBPPARGPPARA
SCHEMBL2292028 0.87 MMP13 (0.57) ITGB3ITGA2BPPARGPPARAPPARD

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 5 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
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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