SCHEMBL29398404

SCHEMBL29398404

C=CCOC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.62
▸ TGM2 P21980 12/20 0.59
▸ SIRT2 Q8IXJ6 1/20 0.56
▸ SIRT1 Q96EB6 1/20 0.56
▸ ITGB3 P05106 1/20 0.56
▸ ITGAV P06756 1/20 0.56
▸ CASP1 P29466 3/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53

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
SCHEMBL12082261 0.97 FOLH1 (0.67) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL4173693 0.91 FOLH1 (0.72) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL11875673 0.91 FOLH1 (0.72) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL4173691 0.91 FOLH1 (0.72) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL4561005 0.87 FOLH1 (0.78) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL464715 0.87 FOLH1 (0.78) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL806151 0.87 FOLH1 (0.78) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL19463546 0.86 TGM2 (0.77) TGM2
SCHEMBL19463544 0.86 TGM2 (0.77) TGM2
SCHEMBL5307097 0.86 PTGER4 (0.56) TGM2

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
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
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
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