SCHEMBL20280563

SCHEMBL20280563

CCC(N)c1ccc(-c2ccc(C#Cc3cc(F)c(F)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
▸ APP P05067 3/20 0.38
▸ CYP2C9 P11712 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
▸ PTGS2 P35354 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 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

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
SCHEMBL20280562 0.90 GRM5 (0.39) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL18458826 0.78 AKR1C3 (0.41) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL18458747 0.78 AKR1C3 (0.41) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL28463023 0.78 AKR1C3 (0.55) CYP2C19CYP2C9AKR1C3AKR1C2PTGS1
SCHEMBL20160764 0.75 KIF11 (0.43) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL2741544 0.75 GRM5 (0.36) CYP2C19APPCYP2C9CYP3A4PTGS1
SCHEMBL14525801 0.75 RARB (0.40) FFAR1
SCHEMBL20209980 0.74 AKR1C3 (0.44) APPAKR1C3AKR1C2PTGS2PSEN1
SCHEMBL20160766 0.74 CYP2C19 (0.38) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL18459127 0.73 SLC6A4 (0.46) —

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
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