SCHEMBL8799313

SCHEMBL8799313

CCCCCCC(C)CCC(=O)[S]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.58
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR84 Q9NQS5 4/20 0.44
CA1 P00915 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
MAPT P10636 2/20 0.44
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL8798824 0.83 TSHR (0.44) ACE2CA1MAPTCES2CES1
SCHEMBL16213113 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL2222385 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL1134744 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL13746761 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL25275005 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL3626201 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL8036038 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL8812279 0.82 ACE2 (0.60) ACE2FFAR1FFAR4GPR84CA1
SCHEMBL2545350 0.82 ACE2 (0.66) ACE2FFAR1FFAR4GPR84MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
EP-0460950-B1 Radicicol derivatives, their preparation and their anti-tumour activity SANKYO CO (JP) 1997-03-05 EP disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP disclosed