SCHEMBL8158338

SCHEMBL8158338

C=CC(=O)OC(C#N)CCC.C=CC(=O)OC(C#N)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HPGD P15428 1/20 0.42
ZDHHC20 Q5W0Z9 3/20 0.37
THRB P10828 2/20 0.37
ZDHHC2 Q9UIJ5 2/20 0.37
THRA P10827 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
CA1 P00915 1/20 0.33
ABCB1 P08183 1/20 0.32
FAAH O00519 1/20 0.32
MAPT P10636 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
SCHEMBL6061300 0.97 TSHR (0.44) TSHRHPGDZDHHC20THRBZDHHC2
SCHEMBL4921452 0.95 TSHR (0.43) TSHRHPGDZDHHC20THRBZDHHC2
SCHEMBL6407967 0.95 TSHR (0.43) TSHRHPGDZDHHC20THRBZDHHC2
SCHEMBL3101475 0.94 TSHR (0.39) TSHRHPGDZDHHC20THRBZDHHC2
SCHEMBL11774081 0.92 TSHR (0.49) TSHRHPGDZDHHC20THRBZDHHC2
Ether SCHEMBL9332239 0.88 TSHR (0.36) TSHRHPGDZDHHC20THRBALDH1A1
Methacrylic Acid SCHEMBL27993448 0.85 TSHR (0.34) TSHRHPGD
SCHEMBL529992 0.80 TSHR (0.38) TSHRHPGDTHRBALDH1A1
SCHEMBL10499864 0.78 TSHR (0.63) TSHRHPGDZDHHC20THRBALDH1A1
SCHEMBL1573329 0.76 FAAH (0.40) ZDHHC20ZDHHC2ALDH1A1EPHX2ZDHHC7

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-6057395-A ELASTOMER CROSSLINKABLE BY ORGANIC PEROXIDES, METAL SALT OFETHYLENICALLY UNSATURATED CARBOXYLIC ACID, MAGNESIUM OXIDE OF LARGE SURFACE AREA, AND ORGANIC PEROXIDE; ROLLS FOR PAPERMAKING AND STEEL MAKING NIPPON ZEON CO., LTD. (JP) 2000-05-02 US disclosed