SCHEMBL31186270

SCHEMBL31186270

CCOc1c(F)c(F)c(-c2ccccc2)c(C2CCCCC2)c1CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ GABRA1 P14867 4/20 0.31
▸ GABRG2 P18507 4/20 0.31
▸ GABRB3 P28472 4/20 0.31
▸ GABRA5 P31644 4/20 0.31
▸ GABRA3 P34903 4/20 0.31
▸ GABRA2 P47869 4/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ESR1 P03372 2/20 0.30

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
SCHEMBL30450532 0.91 GABRA1 (0.33) ALDH1A1NPSR1LMNAHPGDHTT
SCHEMBL29016457 0.88 ALDH1A1 (0.33) ADORA3ALDH1A1NPSR1LMNAHPGD
SCHEMBL30352766 0.83 ALDH1A1 (0.32) ALDH1A1NPSR1LMNAHPGDHTT
SCHEMBL29214526 0.82 MEN1 (0.34) ADORA3NPSR1HPGDKDM4EESR1
SCHEMBL31403438 0.78 MEN1 (0.34) NPSR1HPGDHTR1ASLC6A2SLC6A4
SCHEMBL27432757 0.73 LTA4H (0.38) ADORA3ALDH1A1NPSR1LMNAHPGD
SCHEMBL29016451 0.73 PTGDR2 (0.40) ALDH1A1NPSR1LMNAHPGDHTT
SCHEMBL27499714 0.72 LTA4H (0.37) ADORA3ALDH1A1NPSR1LMNAHPGD
Phosphine SCHEMBL5609398 0.71 MEN1 (0.36) ADORA3NPSR1HPGDKDM4EESR1
SCHEMBL28435916 0.71 ABCB1 (0.37) ALDH1A1NPSR1HPGDMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118878734-A Liquid crystal/polymer composite material, preparation method thereof, dimming film containing liquid crystal/polymer composite material and application of dimming film 北京大学 2024-11-01 — — CN claimed
CN-118878734-A Liquid crystal/polymer composite material, preparation method thereof, dimming film containing liquid crystal/polymer composite material and application of dimming film 北京大学 2024-11-01 — — CN disclosed
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