SCHEMBL21765897

SCHEMBL21765897

O=C(O)CCCCCCCC(CCCCBr)CCCCCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTK1 Q9Y2Q3 2/20 0.59
▸ TSHR P16473 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ FFAR4 Q5NUL3 2/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GPR84 Q9NQS5 3/20 0.44
▸ ENPEP Q07075 1/20 0.44
▸ PPARG P37231 3/20 0.43
▸ PPARD Q03181 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL30190004 0.89 GSTK1 (0.71) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL30504236 0.89 GSTK1 (0.71) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL4525726 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL4528754 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL4520218 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL401025 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL4530530 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL4529944 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL4518788 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL6887374 0.86 TSHR (0.71) TSHRLMNANFKB1PMP22FFAR4

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
WO-2020039631-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLES, COMPOSITION CONTAINING LIPID PARTICLES, AND KIT 株式会社 東芝 2020-02-27 — — WO disclosed
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