SCHEMBL17807593

SCHEMBL17807593

CNCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.45
▸ TLR2 O60603 2/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ SIRT1 Q96EB6 3/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ SIRT3 Q9NTG7 2/20 0.41

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
SCHEMBL26015705 0.97 TLR2 (0.46) MDM2TLR2SIRT1SIRT2SIRT3
SCHEMBL17813688 0.92 MDM2 (0.45) MDM2TLR2PTPN1EPHX2SIRT1
SCHEMBL2734926 0.91 PTPN1 (0.47) PTPN1SIRT1SIRT2SIRT3
SCHEMBL12972289 0.91 PTPN1 (0.47) PTPN1SIRT1SIRT2SIRT3
SCHEMBL13196227 0.89 TLR2 (0.45) MDM2TLR2PTPN1SIRT1SIRT2
SCHEMBL13311052 0.89 TLR2 (0.45) MDM2TLR2PTPN1SIRT1SIRT2
SCHEMBL29371674 0.89 TLR2 (0.45) MDM2TLR2PTPN1SIRT1SIRT2
SCHEMBL24728333 0.87 ITGB1 (0.39) MDM2TLR2EPHX2SIRT1SIRT2
SCHEMBL23477323 0.86 TLR2 (0.45) TLR2PTPN1SIRT1SIRT2SIRT3
SCHEMBL16325412 0.85 MDM2 (0.52) MDM2TLR2SIRT1SIRT2SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016090040-A9 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2017-06-29 — — WO disclosed
WO-2016090040-A1 ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — WO disclosed
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