SCHEMBL28416397

SCHEMBL28416397

C=C(C)C(=O)ONCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.50
PRMT1 Q99873 1/20 0.44
TSHR P16473 5/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
PTPN1 P18031 3/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL27489106 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL27643100 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL16176196 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL20427935 0.82 TSHR (0.55) TSHRALDH1A1
Hydrochloric Acid SCHEMBL346303 0.81 TSHR (0.53) TSHRALDH1A1
SCHEMBL8154331 0.80 TSHR (0.52) TSHRALDH1A1
Hydrochloric Acid SCHEMBL4982854 0.79 PAOX (0.47) TSHRLMNAALDH1A1
SCHEMBL9347712 0.78 ALDH1A1 (0.43) TSHRALDH1A1TDP1
Sebacic Acid SCHEMBL27809935 0.77 TSHR (0.52) ADRA1ATSHRLMNANFKB1PMP22
SCHEMBL28507521 0.77 TSHR (0.47) TSHRALDH1A1ALOX15

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
CN-111225933-B (meth) acrylic acid esters and use thereof 三井化学株式会社 2022-10-04 CN disclosed
CN-111225933-A (meth) acrylic acid esters and use thereof 三井化学株式会社 2020-06-02 CN disclosed