SCHEMBL3833715

SCHEMBL3833715

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
ELANE P08246 1/20 0.33
CTSD P07339 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3835251 0.97 NR1H4 (0.44) NR1H4ELANECTSDKDM4EALDH1A1
SCHEMBL6256758 0.96 NR1H4 (0.50) NR1H4ELANECTSD
SCHEMBL3836167 0.93 NR1H4 (0.45) NR1H4ELANECTSDKDM4EALDH1A1
SCHEMBL4598886 0.92 NR1H4 (0.43) NR1H4ELANECTSD
SCHEMBL5721660 0.91 NR1H4 (0.45) NR1H4ELANECTSDKDM4EALDH1A1
SCHEMBL14677996 0.91 NR1H4 (0.48) NR1H4ELANECTSD
SCHEMBL3833863 0.90 NR1H4 (0.43) NR1H4ELANECTSDKDM4EALDH1A1
SCHEMBL3835998 0.90 NR1H4 (0.51) NR1H4ELANECTSDKDM4EALDH1A1
SCHEMBL4598052 0.89 NR1H4 (0.51) NR1H4ELANECTSDKDM4E
SCHEMBL6026583 0.89 NR1H4 (0.47) NR1H4ELANECTSD

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-2013165-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSOR TION INHIBITOR ACTIVIT. Astra Zeneca AB (SE) 2009-01-14 EP disclosed
WO-2007126358-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSOR TION INHIBITOR ACTIVIT. ASTRAZENECA AB (SE) 2007-11-08 WO disclosed