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SCHEMBL6256758

SCHEMBL6256758

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.50
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ELANE P08246 1/20 0.32
▸ CTSD P07339 3/20 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 0.96 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL3835998 0.94 NR1H4 (0.51) NR1H4KMT2AATMELANECTSD
SCHEMBL3835251 0.94 NR1H4 (0.44) NR1H4ELANECTSD
SCHEMBL4598602 0.93 NR1H4 (0.49) NR1H4KMT2AATMCTSD
SCHEMBL5690082 0.91 NR1H4 (0.48) NR1H4KMT2AATMCTSD
SCHEMBL14677825 0.90 NR1H4 (0.62) NR1H4KMT2AATMELANE
SCHEMBL5709135 0.90 NR1H4 (0.52) NR1H4KMT2AATMELANE
SCHEMBL5709066 0.90 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL5706924 0.90 NR1H4 (0.56) NR1H4KMT2AATMELANE
SCHEMBL5709140 0.90 NR1H4 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 — — EP claimed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 — — WO claimed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 — — EP disclosed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 — — WO disclosed