SCHEMBL22361793

SCHEMBL22361793

C=CC(=O)OCCCCOc1ccc(C(O)Oc2ccc(OC(=O)c3ccc(COc4ccc(B(O)O)cc4)cc3)c(C)c2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.35
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ MAPT P10636 4/20 0.33
▸ THRB P10828 1/20 0.32
▸ RAB9A P51151 5/20 0.32
▸ NPC1 O15118 4/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL22361660 0.97 FFAR1 (0.35) FFAR1RXRARXRBMAPTTHRB
SCHEMBL22419410 0.94 NPC1 (0.35) MAPTTHRBNPC1KMT2AMEN1
SCHEMBL19302434 0.93 THRB (0.35) MAPTTHRBNPC1KMT2ASMN1; SMN2
SCHEMBL22361792 0.92 ENPP2 (0.35) FFAR1RXRARXRBMAPTTHRB
SCHEMBL16945726 0.92 THRB (0.38) RXRARXRBMAPTTHRBRAB9A
SCHEMBL17833478 0.92 THRB (0.38) RXRARXRBMAPTTHRBRAB9A
SCHEMBL19295714 0.90 NPC1 (0.38) RXRARXRBMAPTTHRBRAB9A
SCHEMBL19295727 0.90 NPC1 (0.38) RXRARXRBMAPTTHRBRAB9A
SCHEMBL22361791 0.90 LIPE (0.36) FFAR1RXRARXRBMAPTTHRB
SCHEMBL21793389 0.86 THRB (0.35) MAPTTHRBNPC1KMT2AHTT

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
Send feedback