SCHEMBL6030474

SCHEMBL6030474

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
IRAK4 Q9NWZ3 5/20 0.34
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
PKM P14618 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6030634 0.85 CA12 (0.33) LMNAALDH1A1BRD9GAACA12
SCHEMBL8713543 0.81 POLB (0.41) LMNAALDH1A1MAPTKMT2AIRAK4
SCHEMBL6313350 0.80 PTGS1 (0.36) LMNAALDH1A1BRD9KMT2AGAA
SCHEMBL5368528 0.79 LMNA (0.53) LMNAALDH1A1MAPTKMT2APKM
SCHEMBL1131491 0.68 CA12 (0.40) LMNAALDH1A1BRD9CA12CA1
SCHEMBL14283919 0.67 AKT1 (0.46) LMNAALDH1A1MAPT
SCHEMBL6028951 0.67 IRAK4 (0.35) KMT2AIRAK4
SCHEMBL11904033 0.66 MAPT (0.53) ALDH1A1MAPTKMT2AGAACA12
SCHEMBL30985463 0.65 AAK1 (0.40) ALDH1A1BRD9CA12CA1CA9
SCHEMBL13587071 0.65 CA12 (0.42) LMNAMAPTBRD9KMT2ACA12

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