SCHEMBL8273741

SCHEMBL8273741

Nc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.48
▸ GAA P10253 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ NPFFR2 Q9Y5X5 1/20 0.39

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
SCHEMBL8274406 0.87 ADAM17 (0.49) ADAM17GAAMEN1KMT2AUSP2
SCHEMBL8213531 0.84 ADAM17 (0.65) ADAM17KDM4E
SCHEMBL8273582 0.84 ADAM17 (0.47) ADAM17GAAMEN1KMT2AUSP2
SCHEMBL8273308 0.83 ADAM17 (0.47) ADAM17GAAMEN1KMT2AUSP2
SCHEMBL8275453 0.82 ADAM17 (0.44) ADAM17GAAMEN1KMT2AUSP2
SCHEMBL8273740 0.80 ADAM17 (0.52) ADAM17
SCHEMBL8274404 0.80 ADAM17 (0.55) ADAM17
SCHEMBL8275600 0.79 ADAM17 (0.45) ADAM17MEN1KMT2A
SCHEMBL8273746 0.79 ADAM17 (0.59) ADAM17
SCHEMBL8274753 0.79 ADAM17 (0.42) ADAM17GAAMEN1KMT2AUSP2

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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