SCHEMBL11088906

SCHEMBL11088906

CC(C)(C)OC(=O)Nc1ccc([C@H](NC(=O)N2CCNC2=O)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CCKBR P32239 1/20 0.42
▸ CYP17A1 P05093 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL11089341 1.00 MEN1 (0.42) MEN1KMT2ACCKBRCYP17A1LMNA
SCHEMBL11688469 0.85 MEN1 (0.43) MEN1KMT2ACCKBRLMNAATM
SCHEMBL11088546 0.83 CYP17A1 (0.41) CYP17A1DRD2ATMPRKDCLIPE
SCHEMBL11088548 0.83 CYP17A1 (0.41) CYP17A1DRD2ATMPRKDCLIPE
SCHEMBL11088554 0.83 CYP17A1 (0.41) CYP17A1DRD2ATMPRKDCLIPE
SCHEMBL11084629 0.80 CYP17A1 (0.36) CYP17A1DRD2ATMPRKDCLIPE
SCHEMBL11084630 0.80 CYP17A1 (0.36) CYP17A1DRD2ATMPRKDCLIPE
SCHEMBL11684557 0.80 KMT2A (0.46) MEN1KMT2ACCKBRLMNAATM
SCHEMBL4688423 0.79 CTSS (0.50) CYP17A1ATMPSMB8NAMPTPPARG
SCHEMBL4688415 0.79 CTSS (0.50) CYP17A1ATMPSMB8NAMPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464366-A Cephem compounds having a terminal aminocarboxylic acid grouping and containing an azacyclyl(thio)ureido group CIBA GEIGY CORPORATION (US) 1984-08-07 — — US disclosed
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