SCHEMBL29401297

SCHEMBL29401297

O=C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.54
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ FOLH1 Q04609 2/20 0.52
▸ MDM4 O15151 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ IDO1 P14902 1/20 0.51
▸ TDO2 P48775 1/20 0.51
▸ TLR2 O60603 2/20 0.49
▸ TNF P01375 1/20 0.49
▸ MDM2 Q00987 4/20 0.49
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48

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
SCHEMBL20556494 1.00 KMT2A (0.54) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL178808 1.00 KMT2A (0.54) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL29398472 1.00 KMT2A (0.54) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL20556492 1.00 KMT2A (0.54) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL16924418 0.94 KMT2A (0.50) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL23574786 0.94 FOLH1 (0.58) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL120774 0.94 FOLH1 (0.58) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL23574788 0.94 FOLH1 (0.58) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL119447 0.94 FOLH1 (0.58) KMT2AHDAC1HDAC2FOLH1MDM4
SCHEMBL29400684 0.94 FOLH1 (0.58) KMT2AHDAC1HDAC2FOLH1MDM4

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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