SCHEMBL11580775

SCHEMBL11580775

CCCCC=C(C(=CCCCC)C(C)O)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
EP300 Q09472 1/20 0.35
SPHK1 Q9NYA1 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
F7 P08709 1/20 0.30
F3 P13726 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
SCHEMBL7178549 0.85 EP300 (0.47) GRIK1TSHREP300F7F3
SCHEMBL1657191 0.78 GRIK1 (0.35) GRIK1TSHRALDH1A1EP300SPHK1
SCHEMBL1657189 0.78 GRIK1 (0.35) GRIK1TSHRALDH1A1EP300SPHK1
SCHEMBL7564265 0.75 EP300 (0.50) GRIK1TSHREP300KMT2AF7
SCHEMBL7564268 0.75 EP300 (0.50) GRIK1TSHREP300KMT2AF7
SCHEMBL18250686 0.73 GRIK1 (0.33) GRIK1TSHRALDH1A1EP300
SCHEMBL28777510 0.73 EP300 (0.48) GRIK1TSHREP300F7F3
SCHEMBL7558849 0.70 EP300 (0.46) GRIK1TSHREP300F7F3
SCHEMBL7558847 0.70 EP300 (0.46) GRIK1TSHREP300F7F3
SCHEMBL12987113 0.70 GRIK1 (0.36) GRIK1TSHRALDH1A1EP300MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4098881-A COMPOSITIONS TO CONTROL THE CHRONIC EFFECTS OF EXPOSURE TO SUNLIGHT COMPRISING CONJUGATED DIENES THE PROCTER & GAMBLE COMPANY (US) 1978-07-04 US disclosed