SCHEMBL8106178

SCHEMBL8106178

CCCCCCC[CH]C(=O)C(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.44
SPHK1 Q9NYA1 4/20 0.44
CETP P11597 3/20 0.44
MAPT P10636 4/20 0.43
CYP2D6 P10635 3/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
DGKA P23743 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GMNN O75496 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 2/20 0.42
POLB P06746 2/20 0.42
THRB P10828 2/20 0.42

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
SCHEMBL6751596 0.98 SPHK2 (0.41) SPHK2SPHK1CETPMAPTCYP2D6
SCHEMBL5134826 0.92 GPR84 (0.36) SPHK2SPHK1CETPMAPTCYP2D6
SCHEMBL28838512 0.81 MAPT (0.48) SPHK2SPHK1CETPMAPTCYP2D6
SCHEMBL6266665 0.81 GPR84 (0.57) MAPTGPR84FFAR1
SCHEMBL6268236 0.81 GPR84 (0.57) MAPTGPR84FFAR1
SCHEMBL27806454 0.79 MEN1 (0.45) SPHK2SPHK1CETPMAPTCYP2D6
SCHEMBL5486823 0.74
SCHEMBL27616207 0.73 TERT (0.58) MAPTTP53CYP1A2CYP2C9CYP2C19
Nonane SCHEMBL31606630 0.73 GPR84 (0.68) MAPTGPR84FFAR1ALDH1A1
Octane SCHEMBL8501027 0.73 GPR84 (0.68) MAPTGPR84FFAR1ALDH1A1

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
EP-0985410-A1 External application composition containing a carboxyvinyl polymer and gellan gum SHISEIDO COMPANY LIMITED (JP) 2000-03-15 EP disclosed