SCHEMBL9699119

SCHEMBL9699119

C=CCCCCOc1ccc(-c2ccc(OCCCCC=C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
ALDH2 P05091 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
HRH3 Q9Y5N1 4/20 0.43
KCNA3 P22001 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
SCHEMBL14078006 0.98 ALDH1A1 (0.54) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL8553182 0.94 L3MBTL1 (0.61) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL8971665 0.93 HDAC1 (0.57) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL15365357 0.91 ALDH1A1 (0.59) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL6036578 0.91 HDAC1 (0.56) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL14097607 0.89 RARB (0.56) ALDH1A1L3MBTL1CYP3A4CYP2D6HTT
SCHEMBL5096600 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL5096539 0.89 NR5A1 (0.54) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3
SCHEMBL7972550 0.88 MMP3 (0.54) ALDH1A1L3MBTL1HDAC1HDAC2HRH3
SCHEMBL2267266 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1HDAC1HDAC2HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708458-B2 Composition for thiol-ene-based polymerization and liquid crystalline network-containing objects formed therefrom using additive manufacturing UT-BATTELLE, LLC (US) 2023-07-25 US disclosed
US-11708458-B2 Composition for thiol-ene-based polymerization and liquid crystalline network-containing objects formed therefrom using additive manufacturing UT-BATTELLE, LLC (US) 2023-07-25 US disclosed
CN-115536813-A Preparation method of phenol-biphenylene epoxy resin with high epoxy value 江苏扬农锦湖化工有限公司 2022-12-30 CN disclosed
US-5078910-A Polyacrylates, polyepoxides, low temperature polymerization, potting compounds, composites EDISON POLYMER INNOVATION CORP. (US) 1992-01-07 US disclosed
EP-0405713-A1 Polymerization of liquid crystalline monomers EDISON POLYMER INNOVATION CORPORATION ( EPIC) (US) 1991-01-02 EP disclosed