SCHEMBL5157552

SCHEMBL5157552

C#COC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 7/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 5/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
ALDH1A1 P00352 3/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL3859891 1.00 HSD17B10 (0.54) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL27490503 0.91 MAPT (0.39) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL2261658 0.91 MAPT (0.39) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL1712782 0.91 MAPT (0.39) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL1712975 0.89 TSHR (0.38) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL7057376 0.84 LMNA (0.45) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL5705163 0.81 DGKA (0.55) HSD17B10MAPTTSHRLMNAGPR84
SCHEMBL8587852 0.81 DGKA (0.55) HSD17B10MAPTTSHRLMNAGPR84
SCHEMBL27853972 0.78 TSHR (0.52) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL14032355 0.78 TSHR (0.38) TSHR

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-1921508-A2 Toner Compositions Xerox Corporation (US) 2008-05-14 EP disclosed