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Sugi Predict / Compounds / SCHEMBL6206446

SCHEMBL6206446

SCHEMBL6206446

CCCCC1(CCCC)C(=O)[SH]c2cc(OCC(=O)N[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)c3ccc(O)cc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.55
▸ SLC10A1 Q14973 1/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ UBE2N P61088 1/20 0.31
▸ FNTA P49354 2/20 0.31
▸ FNTB P49356 2/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL3831828 0.94 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL4636187 0.94 NR1H4 (0.62) NR1H4KMT2AATM
SCHEMBL4783638 0.93 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL5320529 0.93 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL6447798 0.93 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL4847539 0.92 NR1H4 (0.51) NR1H4SLC10A1
SCHEMBL5821358 0.91 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL4773634 0.91 NR1H4 (0.54) NR1H4KMT2AATM
SCHEMBL4782628 0.91 NR1H4 (0.51) NR1H4KMT2A
SCHEMBL6250345 0.91 NR1H4 (0.52) NR1H4KMT2AATMPOLB

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