SCHEMBL11091218

SCHEMBL11091218

CCN1CCN(C(=O)N[C@H](C(=O)O)c2ccc(CNC(=O)OC(C)(C)C)cc2)C(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ CTSK P43235 8/20 0.40
▸ CTSS P25774 8/20 0.40
▸ SDCBP O00560 1/20 0.39
▸ SDC2 P34741 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTRA1 Q92743 1/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSL P07711 1/20 0.35

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
SCHEMBL11091216 1.00 NAMPT (0.41) NAMPTHDAC1HDAC2CTSKCTSS
SCHEMBL11088546 0.87 CYP17A1 (0.41) CTSKCTSSATMMAPT
SCHEMBL11088554 0.87 CYP17A1 (0.41) CTSKCTSSATMMAPT
SCHEMBL11088548 0.87 CYP17A1 (0.41) CTSKCTSSATMMAPT
SCHEMBL23414380 0.84 HDAC1 (0.38) HDAC1HDAC2CTSKCTSSATM
SCHEMBL11088568 0.80 RORC (0.39) HDAC1HDAC2CTSKCTSSATM
SCHEMBL11088569 0.80 RORC (0.39) HDAC1HDAC2CTSKCTSSATM
SCHEMBL11088574 0.80 RORC (0.39) HDAC1HDAC2CTSKCTSSATM
SCHEMBL9327248 0.79 MAPT (0.46) HDAC1HDAC2ATML3MBTL1MAPT
SCHEMBL9567734 0.79 MAPT (0.46) HDAC1HDAC2ATML3MBTL1MAPT

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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