SCHEMBL17459808

SCHEMBL17459808

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.43
CMKLR1 Q99788 1/20 0.32
HDAC2 Q92769 1/20 0.31
CETP P11597 2/20 0.31
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 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
SCHEMBL17459810 1.00 GAPDH (0.43) GAPDHCMKLR1HDAC2CETPSPHK2
SCHEMBL7158189 0.98 GAPDH (0.44) GAPDHCMKLR1HDAC2CETPSPHK2
SCHEMBL7158191 0.98 GAPDH (0.44) GAPDHCMKLR1HDAC2CETPSPHK2
SCHEMBL28092169 0.82 GAPDH (0.50) GAPDHCMKLR1PPARGPPARDPPARA
SCHEMBL8445030 0.80
SCHEMBL8445029 0.80
SCHEMBL7877000 0.79 GAPDH (0.41) GAPDHCMKLR1HDAC2CETPSPHK2
SCHEMBL7876999 0.79 GAPDH (0.41) GAPDHCMKLR1HDAC2CETPSPHK2
SCHEMBL3983883 0.78 PPARG (0.35) PPARGPPARDPPARA
SCHEMBL29799275 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3171945-A1 SUNSCREEN FORMULATIONS OPTIMIZED FOR THE FORMATION OF VITAMIN D BASF SE (DE) 2017-05-31 EP disclosed
WO-2016012586-A1 SUNSCREEN FORMULATIONS OPTIMIZED FOR THE FORMATION OF VITAMIN D BASF SE (DE) 2016-01-28 WO disclosed