SCHEMBL5709249

SCHEMBL5709249

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
ELANE P08246 1/20 0.33
CTSD P07339 3/20 0.32
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4636187 0.96 NR1H4 (0.62) NR1H4ELANEKMT2A
SCHEMBL4847539 0.95 NR1H4 (0.51) NR1H4ELANECTSDKDM4EPKM
SCHEMBL4782628 0.95 NR1H4 (0.51) NR1H4ELANECTSDKDM4EPKM
SCHEMBL4611434 0.94 NR1H4 (0.50) NR1H4ELANECTSD
SCHEMBL4846444 0.93 NR1H4 (0.49) NR1H4ELANECTSD
SCHEMBL5709143 0.93 NR1H4 (0.51) NR1H4ELANECTSD
SCHEMBL4851757 0.93 NR1H4 (0.48) NR1H4ELANECTSDMEN1KMT2A
SCHEMBL4609459 0.92 NR1H4 (0.50) NR1H4ELANECTSD
SCHEMBL3831828 0.92 NR1H4 (0.56) NR1H4ELANEMEN1KMT2A
SCHEMBL4783638 0.92 NR1H4 (0.56) NR1H4ELANEKDM4EPKMMEN1

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-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed