Sugi Predict

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SCHEMBL808533

SCHEMBL808533

CCC(CC)(C(=O)N[C@@H](c1cccc2ccccc12)C(O)(c1cccc(C)c1)c1cccc(C)c1)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(c1cccc(C)c1)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL808659 0.91 ALDH1A1 (0.40) LMNAALDH1A1HTTGAA
SCHEMBL808755 0.90 RAB9A (0.39) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL808763 0.87 LMNA (0.39) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL808700 0.87 MTNR1A (0.41) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL809108 0.86 HDAC3 (0.42) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL808641 0.83 LMNA (0.41) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL808597 0.82 ALDH1A1 (0.43) LMNAALDH1A1GAA
SCHEMBL808793 0.82 ALDH1A1 (0.40) LMNAALDH1A1GAA
SCHEMBL808622 0.82 ALDH1A1 (0.39) LMNAALDH1A1HTTGAA
SCHEMBL2837002 0.81 SLC6A4 (0.37) LMNAMEN1KMT2AALDH1A1MAPT

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
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 — — EP disclosed