SCHEMBL7931571

SCHEMBL7931571

CC1C(C(O)CO)CCCC1(CCCCCCCCCCO)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.38
GAA P10253 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
ITGB1 P05556 2/20 0.30
ITGA4 P13612 2/20 0.30
ITGB7 P26010 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL7213202 0.77 HTR7 (0.34) HTR7
SCHEMBL7919939 0.76 HTR7 (0.43) HTR7GAAMCOLN3HTR1AHTR2A
SCHEMBL7928278 0.73 HTR7 (0.36) HTR7GAAMCOLN3HTR1AHTR2A
SCHEMBL3392538 0.73 HTR7 (0.38) HTR7GAAMCOLN3HTR1AHTR2A
SCHEMBL3388921 0.70 HTR7 (0.35) HTR7GAAMCOLN3ITGB1ITGA4
SCHEMBL3389711 0.70 HTR7 (0.35) HTR7GAAMCOLN3ITGB1ITGA4
SCHEMBL7928284 0.66 ALDH1A1 (0.41) PER2CRY1CRY2ALDH1A1MAPT
SCHEMBL5604212 0.64 HTR7 (0.34) HTR7GAAMCOLN3HTR1AHTR2A
SCHEMBL6095183 0.60 HTR7 (0.46) HTR7GAAMCOLN3HTR1AHTR2A
SCHEMBL3392545 0.60 HTR7 (0.46) HTR7GAAMCOLN3HTR1AHTR2A

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
EP-1150667-A1 CYCLOHEXENONE LONG-CHAIN ALCOHOL FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS Meiji Dairies Corporation (JP) 2001-11-07 EP disclosed
WO-2000047199-A1 USE OF A CYCLOHEXENONE LONG-CHAIN ALCOHOL FOR TREATING NEURODEGENERATIVE DISEASES MEIJI DAIRIES CORPORATION (JP) 2000-08-17 WO disclosed
EP-1003706-A1 CYCLOHEXENONE LONG-CHAIN ALCOHOL AND MEDICAMENT CONTAINING SAME MEIJI MILK PRODUCTS COMPANY LIMITED (JP) 2000-05-31 EP disclosed
WO-1999008987-A1 CYCLOHEXENONE LONG-CHAIN ALCOHOL AND MEDICAMENT CONTAINING SAME MEIJI MILK PRODUCTS CO., LTD. (JP) 1999-02-25 WO disclosed