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Sugi Predict / Compounds / SCHEMBL6205772

SCHEMBL6205772

SCHEMBL6205772

CCCCC1(CCCC)C(=O)[SH]c2cc(OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(C)O)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.46
▸ CTSD P07339 3/20 0.33
▸ HTRA1 Q92743 1/20 0.32
▸ ELANE P08246 1/20 0.32

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
SCHEMBL3904116 0.95 NR1H4 (0.47) NR1H4CTSDHTRA1ELANE
SCHEMBL4851757 0.93 NR1H4 (0.48) NR1H4CTSDELANE
SCHEMBL5709249 0.91 NR1H4 (0.56) NR1H4CTSDELANE
SCHEMBL4640802 0.91 NR1H4 (0.52) NR1H4ELANE
SCHEMBL4611434 0.90 NR1H4 (0.50) NR1H4CTSDELANE
SCHEMBL4847539 0.90 NR1H4 (0.51) NR1H4CTSDELANE
SCHEMBL4782628 0.90 NR1H4 (0.51) NR1H4CTSDELANE
SCHEMBL6527603 0.89 NR1H4 (0.45) NR1H4CTSDELANE
SCHEMBL6629929 0.89 NR1H4 (0.45) NR1H4CTSDELANE
SCHEMBL5709143 0.88 NR1H4 (0.51) NR1H4CTSDELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521742-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM AstraZeneca AB (SE) 2005-04-13 — — EP disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 — — WO disclosed