SCHEMBL8274433

SCHEMBL8274433

NCC1C2CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCC3CCN(c4ccccc4O)CC3)CC12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 8/20 0.45
▸ ADAM10 O14672 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GAA P10253 6/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GFER P55789 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPFFR2 Q9Y5X5 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL8222066 0.85 CHRM4 (0.45) ADAM17ADAM10MMP12MMP13GAA
SCHEMBL13544350 0.84 ADAM17 (0.47) ADAM17ADAM10MMP12MMP13KMT2A
SCHEMBL8274406 0.79 ADAM17 (0.49) ADAM17ADAM10MMP12MMP13KMT2A
SCHEMBL8273582 0.77 ADAM17 (0.47) ADAM17ADAM10MMP12MMP13KMT2A
SCHEMBL8221362 0.75 ADAM17 (0.66) ADAM17ADAM10MMP12MMP13ALDH1A1
SCHEMBL13544358 0.74 ADAM17 (0.49) ADAM17ADAM10MMP12MMP13KMT2A
SCHEMBL8221461 0.74 ADAM17 (0.60) ADAM17ADAM10MMP12MMP13ALDH1A1
SCHEMBL8273765 0.74 ADAM17 (0.43) ADAM17KMT2AMEN1
SCHEMBL14494381 0.74 ADAM17 (0.43) ADAM17KMT2AMEN1
SCHEMBL8273743 0.73 ADAM17 (0.46) ADAM17ADAM10MMP12MMP13KMT2A

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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