SCHEMBL28575111

SCHEMBL28575111

CC(C)=CCCC(C)=CCC/C(C)=C/CS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
PTGS1 P23219 1/20 0.49
PDE4A P27815 1/20 0.49
MAPK1 P28482 1/20 0.49
DRD3 P35462 1/20 0.49
SNCA P37840 1/20 0.49
PDE3A Q14432 1/20 0.49
CYP3A4 P08684 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
HIF1A Q16665 2/20 0.48
TRPA1 O75762 2/20 0.48
ICMT O60725 1/20 0.48
GMNN O75496 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2289564 1.00 MAPT (0.49) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL27407686 1.00 MAPT (0.49) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL7930022 1.00 MAPT (0.49) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL6463435 1.00 MAPT (0.49) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL2236562 1.00 MAPT (0.49) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL6028170 1.00 MAPT (0.49) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL14759154 1.00 MAPT (0.49) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL1071266 0.98 MAPT (0.47) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL1071264 0.98 MAPT (0.47) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL16653887 0.98 MAPT (0.47) MAPTPGRHTR1AADORA3PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986069-A Method for producing squalene and squalane based on farnesene fermentation broth and application of method 中国科学院青岛生物能源与过程研究所 2024-05-07 CN claimed
CN-117986069-A Method for producing squalene and squalane based on farnesene fermentation broth and application of method 中国科学院青岛生物能源与过程研究所 2024-05-07 CN disclosed
CN-112262116-A Synthesis of E, E-farnesol, farnesyl acetate and squalene from farnesene via farnesyl chloride 阿迈瑞斯公司 2021-01-22 CN disclosed