SCHEMBL5709130

SCHEMBL5709130

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)c3ccc(O)cc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
CAPNS1 P04632 2/20 0.35
CAPN1 P07384 2/20 0.35
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
FOLH1 Q04609 1/20 0.33
CASP3 P42574 8/20 0.32
CASP1 P29466 7/20 0.32
CASP7 P55210 7/20 0.32
CASP6 P55212 7/20 0.32
CASP8 Q14790 7/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 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
SCHEMBL4619436 0.96 NR1H4 (0.50) NR1H4CAPNS1CAPN1CASP3CASP1
SCHEMBL14677825 0.94 NR1H4 (0.62) NR1H4CAPNS1CAPN1KMT2AATM
SCHEMBL5709066 0.94 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL5706924 0.94 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL4782435 0.92 NR1H4 (0.55) NR1H4KMT2AATM
SCHEMBL5706923 0.92 NR1H4 (0.56) NR1H4KMT2AATM
SCHEMBL6231057 0.92 NR1H4 (0.54) NR1H4KMT2AATM
SCHEMBL4597959 0.92 NR1H4 (0.54) NR1H4KMT2AATM
SCHEMBL5709135 0.91 NR1H4 (0.52) NR1H4KMT2AATMCASP3CASP1
SCHEMBL4617439 0.91 NR1H4 (0.55) NR1H4KMT2AATM

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