SCHEMBL11599116

SCHEMBL11599116

CCCCCO[C@@H]1C=C[C@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.48
PPARG P37231 4/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
TNF P01375 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6267772 1.00 GBA1 (0.48) GBA1PPARGTSHRTP53CYP3A4
SCHEMBL11787564 1.00 GBA1 (0.48) GBA1PPARGTSHRTP53CYP3A4
SCHEMBL7165503 0.86 GBA1 (0.47) GBA1PPARGTSHRTP53CYP3A4
SCHEMBL15188961 0.78 GBA1 (0.40) GBA1PPARGTSHRALDH1A1TDP1
SCHEMBL10334445 0.71
SCHEMBL6524160 0.70 GBA1 (0.47) GBA1TSHRTP53CYP3A4MAPK1
SCHEMBL6517051 0.68 GBA1 (0.50) GBA1TSHRMAPK1ALDH1A1LMNA
SCHEMBL6519035 0.68 GBA1 (0.50) GBA1TSHRMAPK1ALDH1A1LMNA
SCHEMBL6519598 0.68 GBA1 (0.50) GBA1TSHRMAPK1ALDH1A1LMNA
SCHEMBL6520331 0.68 GBA1 (0.50) GBA1TSHRMAPK1ALDH1A1LMNA

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-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US disclosed
US-4008125-A New cyclopentene-diols and new acyl esters thereof and process for their preparation TEIJIN LIMITED (JA) 1977-02-15 US disclosed