SCHEMBL6989461

SCHEMBL6989461

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
ELANE P08246 1/20 0.33
CAPNS1 P04632 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSD P07339 3/20 0.32
MME P08473 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL4598052 0.95 NR1H4 (0.51) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL3834784 0.94 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4619436 0.94 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL5706907 0.92 NR1H4 (0.49) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL3831703 0.92 NR1H4 (0.51) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL3838373 0.92 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL14677996 0.92 NR1H4 (0.48) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL4598195 0.92 NR1H4 (0.50) NR1H4ELANECAPNS1CAPN1CTSD
SCHEMBL14677825 0.92 NR1H4 (0.62) NR1H4ELANECAPNS1CAPN1
SCHEMBL5709066 0.91 NR1H4 (0.56) 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-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