SCHEMBL17350089

SCHEMBL17350089

C/C=C/CC/C=C/C(O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ASAH2 Q9NR71 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SPHK2 Q9NRA0 6/20 0.32
SPHK1 Q9NYA1 6/20 0.32
CETP P11597 5/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
GMNN O75496 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 2/20 0.32
POLB P06746 2/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL17350090 1.00 PPARG (0.34) PPARGPPARDPPARAASAH2HDAC3
SCHEMBL10697463 0.91 ASAH2 (0.42) ASAH2SPHK2SPHK1CETPMEN1
SCHEMBL10697469 0.91 ASAH2 (0.42) ASAH2SPHK2SPHK1CETPMEN1
Acetic Acid SCHEMBL10697760 0.82 ASAH2 (0.44) ASAH2SPHK2SPHK1CETPMEN1
SCHEMBL20819486 0.80 PPARG (0.36) PPARGPPARDPPARAALDH1A1
SCHEMBL3906421 0.80 PPARG (0.36) PPARGPPARDPPARAALDH1A1
SCHEMBL3906424 0.80 PPARG (0.36) PPARGPPARDPPARAALDH1A1
SCHEMBL29799275 0.78 PPARG (0.35) PPARGPPARDPPARA
SCHEMBL3983883 0.78 PPARG (0.35) PPARGPPARDPPARA
SCHEMBL3983881 0.78 PPARG (0.35) PPARGPPARDPPARA

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-9217121-B2 Use of 4,8 dimethyl-3,7 nonadien-2-ol as fragrance BASF SE (DE) 2015-12-22 US disclosed