SCHEMBL6030634

SCHEMBL6030634

Cc1c(NC(=O)OC(C)(C)C)cc2c(c1C)OC(C)(CI)C2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
BRD9 Q9H8M2 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
BACE1 P56817 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RORC P51449 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 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
SCHEMBL6030474 0.85 LMNA (0.38) CA12CA1CA9GAAIRAK4
SCHEMBL6028951 0.85 IRAK4 (0.35) IRAK4
SCHEMBL6313350 0.68 PTGS1 (0.36) CA12CA1CA9GAABRD9
SCHEMBL1131491 0.67 CA12 (0.40) CA12CA1CA9BRD9LMNA
SCHEMBL8713543 0.67 POLB (0.41) IRAK4LMNANPSR1ALDH1A1POLB
SCHEMBL6978934 0.65 PSEN1 (0.31)
Glycine SCHEMBL27518223 0.65 BRD9 (0.37) CA12CA1CA9BRD9
SCHEMBL5368528 0.65 LMNA (0.53) LMNANPSR1ALDH1A1POLB
SCHEMBL3034969 0.64 VDR (0.35) CA12CA1CA9GAAHCRTR1
SCHEMBL13513561 0.64 VDR (0.35) CA12CA1CA9GAAHCRTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008940-B1 Dihydrobenzofuran derivatives, process for the preparing thereof and agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-07 US disclosed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP disclosed
EP-1213290-A1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed