SCHEMBL29016435

SCHEMBL29016435

CCCC1(c2ccccc2-c2ccc(OCC)c(F)c2F)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.36
SLC6A3 Q01959 6/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 3/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HCN1 O60741 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL29214529 0.83 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2ALDH1A1NPSR1
SCHEMBL9061858 0.80 ALDH1A1 (0.40) PDK2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL11028664 0.74 SLC6A4 (0.37) SLC6A3SLC6A4SLC6A2L3MBTL1
SCHEMBL31259434 0.73 NQO1 (0.34) SLC6A3SLC6A4ALDH1A1NPSR1TDP1
SCHEMBL30232639 0.73 SLC6A4 (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL15043621 0.72 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL28984526 0.72 ALDH1A1 (0.39) PDK2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL3665645 0.72 APOBEC3G (0.36) ALDH1A1
SCHEMBL16855852 0.72 L3MBTL1 (0.42) CTSLCTSSCTSKFGFR1FGFR2
SCHEMBL6753578 0.71 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2ALDH1A1L3MBTL1

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