SCHEMBL20160766

SCHEMBL20160766

CCC(N)c1ccc(-c2ccc(-c3cc(F)c(C#N)c(F)c3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ APP P05067 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ AKR1C3 P42330 10/20 0.36
▸ AKR1C2 P52895 10/20 0.36
▸ PTGS1 P23219 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ FABP2 P12104 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL20160764 0.83 KIF11 (0.43) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL15157690 0.80 TRPV4 (0.44) —
SCHEMBL28463023 0.78 AKR1C3 (0.55) CYP2C19CYP2C9AKR1C3AKR1C2PTGS1
SCHEMBL18458493 0.77 KIF11 (0.41) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL18458495 0.77 KIF11 (0.41) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL18458496 0.76 SLC6A4 (0.38) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL18458826 0.75 AKR1C3 (0.41) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL18458747 0.75 AKR1C3 (0.41) CYP2C19CYP2C9APPCYP3A4AKR1C3
SCHEMBL20152467 0.75 RARB (0.40) MEN1KMT2ATSHRMAPTFASN
SCHEMBL20280563 0.74 CYP2C19 (0.38) CYP2C19CYP2C9APPCYP3A4AKR1C3

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 8 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-10975304-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-04-13 — — 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
US-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 — — US disclosed
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