SCHEMBL9561368

SCHEMBL9561368

CCC(C)(C)OC(=O)/C=C\C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.52
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL9561373 1.00 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9860820 1.00 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9561364 0.91 HCAR2 (0.38) HCAR2TSHRALDH1A1TDP1ATM
SCHEMBL4584048 0.91 HCAR2 (0.38) HCAR2TSHRALDH1A1TDP1ATM
SCHEMBL4584052 0.91 HCAR2 (0.38) HCAR2TSHRALDH1A1TDP1ATM
SCHEMBL11749694 0.84 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9328079 0.84 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9328096 0.84 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL11747396 0.83 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL11747412 0.83 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024225302-A1 NOVEL FUMARIC ACID ESTER MONOMER, RESIN, AND FILM CONTAINING SAME 東ソー株式会社 2024-10-31 WO disclosed
CN-108431101-A Peroxyacid ester curing of liquid prepolymer compositions 阿科玛股份有限公司 2018-08-21 CN disclosed
US-5256752-A Nitrogen-free ester of carboxy containing interpolymers THE LUBRIZOL CORPORATION (US) 1993-10-26 US disclosed
EP-0309573-B1 NITROGEN-FREE ESTERS OF CARBOXY CONTAINING INTERPOLYMERS The Lubrizol Corporation (US) 1992-01-02 EP disclosed
US-4048130-A COPOLYMERIZATION, UNSATURATED ACIDS LONZA LTD. (CH) 1977-09-13 US disclosed