SCHEMBL20280452

SCHEMBL20280452

CCOc1ccc(C#Cc2ccc(CN)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.55
NQO1 P15559 1/20 0.54
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL745742 0.90 NQO1 (0.67) NQO1TSHRTDP1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL8121968 0.88 NQO1 (0.64) NQO1TSHRTDP1KEAP1NFE2L2
SCHEMBL31160399 0.85 NQO1 (0.74) ACACBNQO1TSHRTDP1
SCHEMBL20280453 0.85 ACACB (0.49) ACACB
SCHEMBL13687654 0.84 NQO1 (0.58) NQO1TSHRTDP1KEAP1NFE2L2
SCHEMBL8279408 0.84 HRH3 (0.58) NQO1TSHRTDP1KEAP1NFE2L2
SCHEMBL13433660 0.84 NQO1 (0.58) ACACBNQO1
SCHEMBL920213 0.84 ST14 (0.63) NQO1TSHRTDP1KEAP1NFE2L2
SCHEMBL11784167 0.82 MAOB (0.65) ACACBMAOB
SCHEMBL163358 0.82 ACACB (0.60) ACACB

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-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed