SCHEMBL27482513

SCHEMBL27482513

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.47
▸ NAAA Q02083 1/20 0.39
▸ RARB P10826 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ACHE P22303 4/20 0.33

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
SCHEMBL28152424 0.87 TSHR (0.49) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL28016187 0.86 TSHR (0.43) TSHRNAAARARBNPSR1POLB
SCHEMBL27646584 0.86 TSHR (0.43) TSHRNAAARARBRAD52NPSR1
SCHEMBL27557878 0.86 TSHR (0.43) TSHRNAAARARBNPSR1POLB
SCHEMBL5081961 0.86 TSHR (0.43) TSHRNAAARARBRAD52NPSR1
SCHEMBL27518791 0.86 TSHR (0.43) TSHRNAAARARBNPSR1POLB
SCHEMBL2287010 0.86 TSHR (0.43) TSHRNAAARARBRAD52NPSR1
SCHEMBL28591823 0.86 TSHR (0.43) TSHRNAAARARBNPSR1POLB
SCHEMBL27626098 0.86 TSHR (0.43) TSHRNAAARARBNPSR1POLB
SCHEMBL27483258 0.85 CYP19A1 (0.40) TSHRTDP1ALDH1A1THRBACHE

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-103907183-A Use of repellent material to protect fabrication regions in semiconductor assembly HENKEL CORP 2014-07-02 — — CN disclosed
CN-1168906-A Polyolefin resin composition and oriented film therefrom SUMITOMO CHEMICAL CO (JP) 1997-12-31 — — CN disclosed
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