SCHEMBL27894585

SCHEMBL27894585

CC(C)=CCO.OC=CCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
UGT1A1 P22309 1/20 0.41
SQLE Q14534 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
SCHEMBL8813968 0.82 KMT2A (0.55) ALOX15MEN1CYP3A4KMT2AMAPT
SCHEMBL115620 0.82
Hydrogen Peroxide SCHEMBL31511442 0.78
Water SCHEMBL28278362 0.78
Bromide SCHEMBL9843003 0.78
SCHEMBL28997068 0.78
SCHEMBL28121280 0.78
SCHEMBL8579642 0.78 TSHR (0.33)
SCHEMBL1371573 0.78
SCHEMBL62712 0.78

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
CN-102811703-A Sun protection compositions BAYER MATERIALSCIENCE AG 2012-12-05 CN disclosed
CN-102711854-A Polyurethane dispersions for sealing teats of the udder of milk-producing animals BAYER MATERIALSCIENCE AG 2012-10-03 CN disclosed