SCHEMBL30450532

SCHEMBL30450532

CCCc1c(OCC)c(F)c(F)c(-c2ccccc2)c1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

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

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
SCHEMBL30352766 0.91 ALDH1A1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31186270 0.91 ADORA3 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29057232 0.81 — —
SCHEMBL29016457 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHPGDHTTHIF1A
SCHEMBL31403442 0.79 DRD2 (0.35) ALDH1A1HPGDNPSR1
SCHEMBL29016450 0.76 — —
SCHEMBL29214526 0.75 MEN1 (0.34) HPGDNPSR1
SCHEMBL27432757 0.72 LTA4H (0.38) ALDH1A1LMNAHPGDNPSR1
SCHEMBL29016451 0.72 PTGDR2 (0.40) ALDH1A1LMNAHPGDHTTHIF1A
SCHEMBL31403438 0.71 MEN1 (0.34) HPGDNPSR1HTR1ASLC6A2SLC6A4

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-116254121-A Negative liquid crystal mixture, display panel, display device and driving method 北京京东方显示技术有限公司 2023-06-13 — — CN claimed
CN-116254121-A Negative liquid crystal mixture, display panel, display device and driving method 北京京东方显示技术有限公司 2023-06-13 — — CN disclosed
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