SCHEMBL28385403

SCHEMBL28385403

C=C(C)C(=O)OCCCC1(C(=O)O)C=CCCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL3989228 0.93 THRB (0.34) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29507134 0.82 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL29670349 0.79 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL5443893 0.71 TSHR (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5447282 0.68 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7202203 0.66 POLB (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15253486 0.65 THRB (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL36216 0.65 THRB (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28991658 0.65
SCHEMBL5144090 0.64 TSHR (0.79) TSHRPOLBAPEX1HTTTDP1

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-106164190-B Coating liquid for forming transparent film and method for producing same, organic resin dispersion sol, substrate with transparent film and method for producing same 日挥触媒化成株式会社 2020-05-01 CN disclosed
CN-107073516-A Method for producing structure having concave pattern, resin composition, method for forming conductive film, electronic circuit, and electronic device JSR株式会社 2017-08-18 CN disclosed