SCHEMBL8800129

SCHEMBL8800129

COC(C)OCOCCCCCCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 5/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
PTPN1 P18031 3/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL8800258 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL8798088 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL8813678 0.85 LMNA (0.35) ALDH1A1TSHRLMNA
SCHEMBL8812439 0.85 LMNA (0.35) ALDH1A1TSHRLMNA
SCHEMBL9422919 0.79 MEN1 (0.35) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8798686 0.78 ALDH1A1 (0.69) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL8799279 0.78 ALDH1A1 (0.69) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL11259005 0.77 PRKD3 (0.42) ALDH1A1TDP1MEN1KMT2A
SCHEMBL8800254 0.75 ALDH1A1 (0.70) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL8798081 0.75 ALDH1A1 (0.70) ALDH1A1TSHRLMNANFKB1PMP22

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