Sugi Predict

Sugi Predict / Compounds / SCHEMBL6447798

SCHEMBL6447798

SCHEMBL6447798

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.56
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ELANE P08246 1/20 0.31

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
SCHEMBL4636187 0.95 NR1H4 (0.62) NR1H4KMT2AATMELANE
SCHEMBL3831828 0.94 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL4783638 0.94 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL6206446 0.93 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL5821358 0.92 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL4773634 0.92 NR1H4 (0.54) NR1H4KMT2AATM
SCHEMBL6250345 0.92 NR1H4 (0.52) NR1H4KMT2AATMELANE
SCHEMBL5320529 0.92 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL5709249 0.91 NR1H4 (0.56) NR1H4KMT2AELANE
SCHEMBL4847539 0.91 NR1H4 (0.51) NR1H4ELANE

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-1539120-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA Astrazeneca AB (SE) 2005-06-15 — — EP disclosed
WO-2004006899-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA ASTRAZENECA AB (SE) 2004-01-22 — — WO disclosed