SCHEMBL28298521

SCHEMBL28298521

C=CCC(F)(CCC(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 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
SCHEMBL7757189 0.79 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL5936843 0.78 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL28248737 0.78 TSHR (0.34) TDP1ALDH1A1TSHRMEN1CYP3A4
SCHEMBL3628603 0.76 L3MBTL1 (0.38) TDP1ALDH1A1TSHRMEN1CYP3A4
SCHEMBL4000384 0.74 CES2 (0.44) MEN1KMT2A
SCHEMBL12868851 0.70 CA1 (0.36)
SCHEMBL28260440 0.68 CHRM1 (0.32) TDP1
SCHEMBL21892040 0.67 CA1 (0.33)
SCHEMBL28289570 0.67 MAPT (0.35) TDP1TSHRMEN1CYP3A4ALOX15
SCHEMBL9652201 0.66

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-109803632-A High performance, high impact strength fragrance emitting accord 国际香料和香精公司 2019-05-24 CN disclosed