SCHEMBL8601903

SCHEMBL8601903

C=C(C)C(=O)C(C)OC(=O)/C=C/C(=O)OC(C)C(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
TSHR P16473 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
AKR1B10 O60218 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKR1B1 P15121 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL8601908 0.92 HCAR2 (0.57) HCAR2TSHRALDH1A1
SCHEMBL8601904 0.92 HCAR2 (0.57) HCAR2TSHRALDH1A1
SCHEMBL6695785 0.77 TSHR (0.45) TSHRALDH1A1
SCHEMBL8155376 0.76 TDP1 (0.42) TSHRALDH1A1
SCHEMBL4962596 0.74 TSHR (0.38) TSHRALDH1A1
SCHEMBL9639072 0.74 TSHR (0.39) TSHRALDH1A1CA1
SCHEMBL9155941 0.72 HCAR2 (0.42) HCAR2TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL4402606 0.72 HCAR2 (0.38) HCAR2TSHRCA12AKR1B10CA1
SCHEMBL9162974 0.72 HCAR2 (0.42) HCAR2TSHRKEAP1NFE2L2ALDH1A1
SCHEMBL31426782 0.72 HCAR2 (0.38) HCAR2TSHRCA12AKR1B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817443-A FORMING IMAGES; ELECTROGRAPHY, ELECTROSTATIC RECORDING, PRINTING, FIXING; BLEND VINYL RESIN AND COLORANT KONICA CORPORATION (JP) 1998-10-06 US disclosed