SCHEMBL9722188

SCHEMBL9722188

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)=C1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.67
HSPE1 P61604 1/20 0.67
TST Q16762 1/20 0.67
MAPT P10636 1/20 0.67
RECQL P46063 1/20 0.67
BLM P54132 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
FAAH O00519 2/20 0.51
DGKA P23743 1/20 0.50
LPAR1 Q92633 5/20 0.48
ENPP2 Q13822 2/20 0.48
LPAR4 Q99677 2/20 0.48
LPAR5 Q9H1C0 2/20 0.48
LPAR2 Q9HBW0 2/20 0.48
LPAR3 Q9UBY5 2/20 0.48
CES2 O00748 1/20 0.48
LPAR6 P43657 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
ELANE P08246 1/20 0.48
SELP P16109 1/20 0.46

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
SCHEMBL8163824 0.91 HSPD1 (0.82) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL9722176 0.91 HSPD1 (0.82) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL6429749 0.91 MAPT (0.80) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL22099880 0.91 MAPT (0.80) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL7805056 0.91 MAPT (0.80) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL1974137 0.91 MAPT (0.80) HSPD1HSPE1TSTMAPTRECQL
Ascorbyl Gamolenate SCHEMBL3142843 0.90 HSPD1 (0.80) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL9722130 0.88 HSPD1 (0.51) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL2241479 0.88 MAPT (0.76) HSPD1HSPE1TSTMAPTRECQL
SCHEMBL14880173 0.88 HSPD1 (0.87) HSPD1HSPE1TSTMAPTRECQL

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
US-5078989-A Linoleic Acid-Vitamin C Esters SUNSTAR K.K. (JP) 1992-01-07 US claimed
US-5078989-A Linoleic Acid-Vitamin C Esters SUNSTAR K.K. (JP) 1992-01-07 US disclosed