SCHEMBL29401366

SCHEMBL29401366

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
TGM2 P21980 7/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
FOLH1 Q04609 2/20 0.40
CAPN1 P07384 1/20 0.40
CAPN2 P17655 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL29398651 1.00 ITGB3 (0.44) ITGB3ITGAVSIRT2SIRT1TGM2
SCHEMBL30134454 0.97 ITGB3 (0.42) ITGB3ITGAVSIRT2SIRT1TGM2
SCHEMBL4438826 0.91 SIRT2 (0.44) ITGB3ITGAVSIRT2SIRT1TGM2
SCHEMBL29501799 0.90 KLK7 (0.47) ITGB3MMP2MMP9FOLH1
SCHEMBL15521023 0.87 MDM2 (0.43) HDAC3HDAC6
SCHEMBL29384293 0.87 MDM2 (0.43) HDAC3HDAC6
SCHEMBL29430340 0.87 MDM2 (0.43) HDAC3HDAC6
SCHEMBL3431396 0.87 MDM2 (0.43) HDAC3HDAC6
SCHEMBL3725103 0.87 MDM2 (0.43) HDAC3HDAC6
SCHEMBL29358841 0.87 MDM2 (0.43) HDAC3HDAC6

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
CN-118561901-A Compound containing bis ((siloxy) phenyl) methane structure and preparation method and application thereof 南京工业大学 2024-08-30 CN 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
EP-3982991-A2 NRP-1 BINDING INHIBITORY PEPTIDES AND USES THEREOF INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-04-20 EP disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed