SCHEMBL27760348

SCHEMBL27760348

C=CCc1cccc(I)c1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
AKR1B1 P15121 1/20 0.31
KMO O15229 1/20 0.30
PRCP P42785 1/20 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
SCHEMBL14692733 0.89 GABRA1 (0.43) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL27919603 0.83 GABRA1 (0.39) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL491175 0.83 GABRA1 (0.46) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL27927530 0.81 ABCB1 (0.44) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL27631593 0.81 GABRA1 (0.38) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL9784205 0.81 GABRA1 (0.40) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL17666848 0.81 GABRA1 (0.47) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL28779781 0.79 KMT2A (0.37) GABRA1GABRB2KMT2ADYRK1ALMNA
SCHEMBL7141363 0.78 GABRA1 (0.41) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL9493041 0.78 DRD2 (0.36) GABRA1GABRB2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101560396-B Method for synthesizing fluorine-containing antiform alkyl cyclohexyl biphenyl single liquid crystal LAIYANG SHENGHUA TECHNOLOGY CO LTD 2012-07-25 CN claimed
CN-101560396-A Method for synthesizing fluorine-containing antiform alkyl cyclohexyl biphenyl single liquid crystal LAIYANG SHENGHUA TECHNOLOGY CO (CN) 2009-10-21 CN claimed
CN-101560396-B Method for synthesizing fluorine-containing antiform alkyl cyclohexyl biphenyl single liquid crystal LAIYANG SHENGHUA TECHNOLOGY CO LTD 2012-07-25 CN disclosed
CN-101560396-A Method for synthesizing fluorine-containing antiform alkyl cyclohexyl biphenyl single liquid crystal LAIYANG SHENGHUA TECHNOLOGY CO (CN) 2009-10-21 CN disclosed