SCHEMBL28294921

SCHEMBL28294921

C=C(C)C(=O)OCCCCCCCC(C)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.46
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAAA Q02083 1/20 0.32
FAAH O00519 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
SCHEMBL9716534 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL25202144 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28231087 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28296630 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9139290 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1133052 0.98 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1133048 0.93 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL36424 0.87 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL216465 0.87 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20503431 0.87 TSHR (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790430-A Adhesive composition 住友化学株式会社 2019-05-21 CN disclosed