SCHEMBL1802967

SCHEMBL1802967

O=C(O)C=Cc1cc2c(c(=O)o1)C=C1CCCCC1O2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.35
RXRA P19793 4/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL12620845 0.83 SOAT1 (0.38) SOAT1
SCHEMBL1801445 0.83 SOAT1 (0.38) SOAT1
SCHEMBL12620818 0.80 SOAT1 (0.41) SOAT1KDM4EALDH1A1
SCHEMBL12620807 0.77 SOAT1 (0.38) SOAT1KDM4E
SCHEMBL1802581 0.77 SOAT1 (0.38) SOAT1KDM4E
SCHEMBL1803256 0.75 SOAT1 (0.50) SOAT1
SCHEMBL12620853 0.75 FFAR1 (0.39) SOAT1KDM4E
SCHEMBL12620847 0.75 SOAT1 (0.43) SOAT1
SCHEMBL1808525 0.75 SOAT1 (0.43) SOAT1
SCHEMBL12620852 0.74 SOAT1 (0.38) SOAT1

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
US-7935726-B1 Tricyclic pyrones KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-05-03 US disclosed
US-6916824-B1 Methods of treating cataracts and diabetic retinopathy with tricyclic pyrones KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-07-12 US disclosed