SCHEMBL20280288

SCHEMBL20280288

CCOc1ccc(C#Cc2ccc(C(N)CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.52
NQO1 P15559 1/20 0.48
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A4 P31645 1/20 0.44

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
SCHEMBL8285902 0.91 NQO1 (0.58) NQO1TSHRTDP1SLC6A4
Hydrochloric Acid SCHEMBL4935655 0.89 NQO1 (0.56) NQO1TSHRTDP1SLC6A4
SCHEMBL162942 0.84 ACACB (0.60) ACACBNQO1
SCHEMBL31160399 0.81 NQO1 (0.74) ACACBNQO1TSHRTDP1
SCHEMBL20280630 0.80 SLC6A4 (0.48) ACACBSLC6A4
SCHEMBL11659757 0.78 NQO1 (0.56) NQO1TSHRTDP1
SCHEMBL3636532 0.77 NQO1 (0.54) ACACBNQO1TSHRTDP1
SCHEMBL3639055 0.77 NQO1 (0.54) ACACBNQO1TSHRTDP1
SCHEMBL8284241 0.77 SLC2A1 (0.58) ACACBSLC6A4
SCHEMBL3638125 0.77 NQO1 (0.54) ACACBNQO1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174431-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-11-16 US disclosed
US-10913895-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-02-09 US disclosed
US-10913896-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-02-09 US disclosed
US-10752838-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2020-08-25 US disclosed
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 US disclosed