SCHEMBL11083551

SCHEMBL11083551

CCN1CCN(C(=O)N[C@H](C(=O)O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)C(=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ ATM Q13315 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ KAT8 Q9H7Z6 1/20 0.32
▸ KEAP1 Q14145 4/20 0.32
▸ NFE2L2 Q16236 4/20 0.32
▸ POLB P06746 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CREBBP Q92793 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ SLC22A6 Q4U2R8 1/20 0.30
▸ SLC22A8 Q8TCC7 1/20 0.30

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
SCHEMBL11088569 0.82 RORC (0.39) ATMCTSSCTSKHDAC1HDAC2
SCHEMBL11088568 0.82 RORC (0.39) ATMCTSSCTSKHDAC1HDAC2
SCHEMBL11088574 0.82 RORC (0.39) ATMCTSSCTSKHDAC1HDAC2
SCHEMBL11083550 0.81 ATM (0.35) ATMCTSSCTSKHDAC1HDAC2
SCHEMBL11083541 0.81 ATM (0.35) ATMCTSSCTSKHDAC1HDAC2
SCHEMBL16019036 0.80 KEAP1 (0.37) ATMHDAC1HDAC2KEAP1NFE2L2
SCHEMBL7828421 0.79 ATM (0.42) ATMPOLBMAPTPDE3ASLC22A6
SCHEMBL8597022 0.79 ATM (0.42) ATMPOLBMAPTPDE3ASLC22A6
SCHEMBL23414380 0.78 HDAC1 (0.38) ATMCTSSCTSKHDAC1HDAC2
Water SCHEMBL8600954 0.78 ATM (0.42) ATMCTSSCTSKPOLBMAPT

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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