SCHEMBL5504041

SCHEMBL5504041

C[C@@H](C(=O)n1c(=O)oc2ccccc21)[C@H](O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ASAH1 Q13510 11/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5500883 1.00 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5500885 1.00 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL17201488 0.87 IDO1 (0.54) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5495838 0.81 IDO1 (0.54) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5495840 0.81 IDO1 (0.54) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5503210 0.81 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5503209 0.81 IDO1 (0.50) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL6810618 0.80 IDO1 (0.49) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL6810615 0.80 IDO1 (0.49) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5499815 0.80 IDO1 (0.49) IDO1ALDH1A1MAPTHSD17B10ASAH1

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-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP disclosed
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US disclosed
US-6492562-B1 INVENTION ALSO RELATES TO NOVEL INTERMEDIATES AND THE RESULTING MODIFIED POLYKETIDES AND ANTIBIOTICS. KOSAN BIOSCIENCES, INC. 2002-12-10 US disclosed