SCHEMBL28562995

SCHEMBL28562995

C=CCOC(=O)C(CCCC)CCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
MAPK1 P28482 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
PRKCD Q05655 2/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
BIRC2 Q13490 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21653829 0.98 TSHR (0.57) TSHRCA2CA1MAPK1ZDHHC7
SCHEMBL28316873 0.96 TSHR (0.59) TSHRCA2CA1ZDHHC7TDP1
SCHEMBL22598334 0.96 TSHR (0.59) TSHRCA2CA1ZDHHC7TDP1
SCHEMBL22598182 0.96 TSHR (0.59) TSHRCA2CA1ZDHHC7TDP1
SCHEMBL22598174 0.96 TSHR (0.59) TSHRCA2CA1ZDHHC7TDP1
SCHEMBL28545057 0.96 TSHR (0.59) TSHRCA2CA1ZDHHC7TDP1
SCHEMBL28546607 0.96 TSHR (0.59) TSHRCA2CA1ZDHHC7TDP1
SCHEMBL28738803 0.93 TSHR (0.56) TSHRCA2CA1ZDHHC7TDP1
SCHEMBL15443534 0.93 TSHR (0.50) TSHRCA2CA1MAPK1TDP1
SCHEMBL15443382 0.91 CA2 (0.53) TSHRCA2CA1MAPK1ZDHHC7

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-112804986-A Water-in-oil type emulsified composition 株式会社资生堂 2021-05-14 CN disclosed