SCHEMBL20209577

SCHEMBL20209577

CCC(N)c1ccc(-c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.40
▸ AKR1C2 P52895 7/20 0.40
▸ ALOX5AP P20292 5/20 0.35
▸ FEN1 P39748 5/20 0.35
▸ CYP17A1 P05093 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL20209980 0.93 AKR1C3 (0.44) AKR1C3AKR1C2ALOX5APFEN1HSD17B1
SCHEMBL18458826 0.84 AKR1C3 (0.41) AKR1C3AKR1C2ALOX5APFEN1CYP17A1
SCHEMBL18458747 0.84 AKR1C3 (0.41) AKR1C3AKR1C2ALOX5APFEN1CYP17A1
SCHEMBL15088582 0.82 HSD17B1 (0.37) AKR1C3AKR1C2ALOX5APFEN1CYP17A1
SCHEMBL18458496 0.79 SLC6A4 (0.38) AKR1C3AKR1C2CYP17A1SLC6A4APP
SCHEMBL17083196 0.79 PDE3B (0.39) AKR1C3AKR1C2ALOX5APFEN1HSD17B1
SCHEMBL16210613 0.79 RARB (0.38) AKR1C3AKR1C2HSD17B1HSD17B2ESR1
SCHEMBL20209578 0.78 TAAR1 (0.43) ALOX5APFEN1HSD17B1HSD17B2ESR1
SCHEMBL16210611 0.78 AKR1C3 (0.50) AKR1C3AKR1C2CYP17A1APPCYP2C9
SCHEMBL18458495 0.78 KIF11 (0.41) AKR1C3AKR1C2ALOX5APFEN1CYP17A1

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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