SCHEMBL22361792

SCHEMBL22361792

C=CC(=O)OCCCCOc1ccc(C(O)Oc2ccc(OC(=O)c3ccc(COc4cccc(B(O)O)c4)cc3)c(C)c2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ SMPD1 P17405 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TLR4 O00206 1/20 0.31
▸ TLR2 O60603 1/20 0.31

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
SCHEMBL22361793 0.92 FFAR1 (0.35) FFAR1THRBMAPTRXRARXRB
SCHEMBL19295712 0.92 ENPP2 (0.40) ENPP2L3MBTL1TDP1THRBMAPT
SCHEMBL22361660 0.89 FFAR1 (0.35) L3MBTL1FFAR1THRBMAPTRXRA
SCHEMBL22361791 0.87 LIPE (0.36) ENPP2L3MBTL1TDP1FFAR1THRB
SCHEMBL22419410 0.87 NPC1 (0.35) TDP1THRBMAPTNPC1TP53
SCHEMBL19302434 0.85 THRB (0.35) L3MBTL1TDP1THRBMAPTNPC1
SCHEMBL17833478 0.84 THRB (0.38) THRBMAPTRXRARXRBMAOB
SCHEMBL16945726 0.84 THRB (0.38) THRBMAPTRXRARXRBMAOB
SCHEMBL19295714 0.82 NPC1 (0.38) THRBMAPTRXRARXRBMAOB
SCHEMBL19295727 0.82 NPC1 (0.38) THRBMAPTRXRARXRBMAOB

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
US-10752778-B2 Resin composition containing surface-modified inorganic substance, thermally conductive material, and device FUJIFILM CORPORATION (JP) 2020-08-25 — — US disclosed
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