SCHEMBL19929426

SCHEMBL19929426

C=CC(=O)OCOc1ccc(-c2ccc(OC(=O)C#Cc3ccc(COC(=O)C=C)cc3)cc2)cc1OCOC(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.37
THRB P10828 3/20 0.33
ACACB O00763 2/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PTGER4 P35408 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
SCHEMBL19929428 0.92 FFAR1 (0.37) FFAR1THRBACACB
SCHEMBL15397361 0.91 FFAR1 (0.39) FFAR1THRBACACBPPARDPPARA
SCHEMBL19771196 0.91 FFAR1 (0.34) FFAR1THRBACACBPPARDPPARA
SCHEMBL19759391 0.89 FFAR1 (0.33) FFAR1THRBACACBPPARDPPARA
SCHEMBL16426195 0.88 FFAR1 (0.41) FFAR1THRBACACBPPARDPPARA
SCHEMBL19929427 0.85 THRB (0.36) FFAR1THRBACACB
SCHEMBL19759247 0.84 ACACB (0.35) FFAR1ACACBPPARDPPARA
SCHEMBL18328847 0.84 THRB (0.40) FFAR1THRBACACBPPARDPPARA
SCHEMBL19759395 0.82 THRB (0.36) THRBACACB
SCHEMBL19771197 0.82 THRB (0.32) FFAR1THRBACACB

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-20180112022-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC MATERIAL DIC CORPORATION (JP) 2018-04-26 US disclosed
US-20180066189-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-03-08 US disclosed