SCHEMBL29079409

SCHEMBL29079409

Cc1ccc(CC(C)C)c(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
ELANE P08246 3/20 0.37
CTSG P08311 1/20 0.37
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.33
SCN5A Q14524 1/20 0.33
TRPA1 O75762 2/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 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
SCHEMBL23387408 0.87 GABRA1 (0.61) GABRA1GABRB2HTR1DHTR1BELANE
SCHEMBL6455177 0.83 GABRA1 (0.57) GABRA1GABRB2HTR1DHTR1BELANE
SCHEMBL259001 0.82 GABRA1 (0.50) GABRA1GABRB2HTR1DHTR1BELANE
SCHEMBL29679737 0.78 HTR1D (0.56) HTR1DHTR1BHSD17B10ALDH1A1CYP1A2
SCHEMBL924120 0.78 HTR1D (0.56) HTR1DHTR1BHSD17B10ALDH1A1CYP1A2
SCHEMBL23387421 0.78 GABRA1 (0.55) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL23925635 0.78 GABRA1 (0.55) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL5587185 0.77 GABRA1 (0.73) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL11057860 0.76 GABRA1 (0.39) GABRA1GABRB2KDM4EUSP2HPGD
SCHEMBL31620170 0.76 GABRA1 (0.46) GABRA1GABRB2HTR1DHTR1BELANE

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-109929103-B Method for preparing high-intrinsic-viscosity polyphenyl ether 北京赛福瑞技术服务有限公司 2024-03-29 CN disclosed
CN-116813900-A Double-end hydroxyl low molecular weight polyphenyl ether and synthesis method thereof 北京赛福瑞技术服务有限公司 2023-09-29 CN disclosed