SCHEMBL20209980

SCHEMBL20209980

CCC(N)c1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 10/20 0.44
▸ AKR1C2 P52895 10/20 0.44
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ APP P05067 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL20209577 0.93 AKR1C3 (0.40) AKR1C3AKR1C2APPHSD17B1HSD17B2
SCHEMBL16210611 0.82 AKR1C3 (0.50) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL20202922 0.78 HSD17B1 (0.38) AKR1C3AKR1C2HSD17B1HSD17B2ALOX5AP
SCHEMBL15088581 0.77 HSD17B1 (0.38) AKR1C3AKR1C2HSD17B1HSD17B2ALOX5AP
SCHEMBL15088582 0.76 HSD17B1 (0.37) AKR1C3AKR1C2HSD17B1HSD17B2ALOX5AP
SCHEMBL18458826 0.75 AKR1C3 (0.41) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL18458747 0.75 AKR1C3 (0.41) AKR1C3AKR1C2APPALOX5APFEN1
SCHEMBL17083194 0.75 ESR1 (0.40) AKR1C3AKR1C2HSD17B1HSD17B2ESR1
SCHEMBL28463023 0.75 AKR1C3 (0.55) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL20209771 0.75 APP (0.33) AKR1C3AKR1C2APPALOX5APFEN1

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-11326103-B2 Liquid crystal display device DIC CORPORATION (JP) 2022-05-10 — — US disclosed
EP-3450523-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DAINIPPON INK & CHEMICALS (JP) 2021-01-06 — — EP disclosed
US-20200354633-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-11-12 — — US disclosed
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 — — US disclosed
US-20190119575-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2019-04-25 — — US disclosed
US-20180148647-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY USING SAME DIC CORPORATION (JP) 2018-05-31 — — US disclosed
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