SCHEMBL28569591

SCHEMBL28569591

CC(OC(N)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 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
Methacrylic Acid SCHEMBL534405 0.90 THRB (0.32) THRB
Methacrylic Acid SCHEMBL6700142 0.90 THRB (0.32) THRB
SCHEMBL11904925 0.82 TSHR (0.39) THRBCHRM2CHRM4CHRM1TSHR
SCHEMBL6937646 0.79 HCAR2 (0.38) THRB
SCHEMBL6937649 0.79 HCAR2 (0.38) THRB
SCHEMBL55494 0.78 TSHR (0.36) THRBTSHR
SCHEMBL2396170 0.78 TSHR (0.36) THRBTSHR
SCHEMBL7894072 0.78 TSHR (0.36) THRBTSHR
SCHEMBL2140463 0.78 TSHR (0.36) THRBTSHR
SCHEMBL5084831 0.78 TSHR (0.36) THRBTSHR

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
CN-112839925-A Compound for mold release agent and preparation method thereof 株式会社世可 2021-05-25 CN disclosed