SCHEMBL6992526

SCHEMBL6992526

CCCCC1(CCCC)C(=O)Sc2cc(OCC(=O)N[C@@H](C(=O)NCC(=O)OC(C)(C)C)c3ccccc3)c(SC)cc2N(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
MALT1 Q9UDY8 2/20 0.33
S1PR3 Q99500 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTRA1 Q92743 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
SCHEMBL3833715 0.89 NR1H4 (0.45) NR1H4KDM4EALDH1A1
SCHEMBL3835251 0.86 NR1H4 (0.44) NR1H4KDM4EALDH1A1
SCHEMBL4598886 0.85 NR1H4 (0.43) NR1H4
SCHEMBL6256758 0.85 NR1H4 (0.50) NR1H4
SCHEMBL3836167 0.85 NR1H4 (0.45) NR1H4KDM4EALDH1A1
SCHEMBL14677996 0.84 NR1H4 (0.48) NR1H4
SCHEMBL3833863 0.83 NR1H4 (0.43) NR1H4KDM4EALDH1A1
SCHEMBL6673376 0.83 NR1H4 (0.43) NR1H4
SCHEMBL5721660 0.83 NR1H4 (0.45) NR1H4KDM4EALDH1A1
SCHEMBL6026583 0.83 NR1H4 (0.47) NR1H4HTRA1

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-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed