SCHEMBL11083550

SCHEMBL11083550

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ VSIR Q9H7M9 1/20 0.32
▸ PTPRC P08575 2/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ CASR P41180 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11083541 1.00 ATM (0.35) ATMCTSSCTSKPOLBFPR3
SCHEMBL11088568 0.88 RORC (0.39) ATMCTSSCTSKPOLBHDAC1
SCHEMBL11088574 0.88 RORC (0.39) ATMCTSSCTSKPOLBHDAC1
SCHEMBL11088569 0.88 RORC (0.39) ATMCTSSCTSKPOLBHDAC1
SCHEMBL11083551 0.81 BRD4 (0.38) ATMCTSSCTSKPOLBHDAC1
SCHEMBL16019036 0.80 KEAP1 (0.37) ATMPOLBHDAC1HDAC2
SCHEMBL7828421 0.79 ATM (0.42) ATMPOLB
SCHEMBL8597022 0.79 ATM (0.42) ATMPOLB
SCHEMBL11088546 0.78 CYP17A1 (0.41) ATMCTSSCTSKPOLB
SCHEMBL11088548 0.78 CYP17A1 (0.41) ATMCTSSCTSKPOLB

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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