SCHEMBL9754748

SCHEMBL9754748

CCC=CCC=CCC=CCCCCCCCC(=O)OC(C(=O)CCCCCCCC=CCC=CCC=CCC)C(O)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.52
FAAH O00519 3/20 0.52
HPGD P15428 2/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
F7 P08709 2/20 0.50
F3 P13726 2/20 0.50
CYP19A1 P11511 2/20 0.50
NR1I2 O75469 2/20 0.50
PTGS2 P35354 2/20 0.50
OXER1 Q8TDS5 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
FFAR1 O14842 1/20 0.50

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
SCHEMBL9808018 0.93 FAAH (0.62) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL27075587 0.91 FAAH (0.64) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL3827843 0.91 FAAH (0.64) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL27972239 0.88 PRKCA (0.59) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL27075588 0.88 PRKCA (0.59) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL26664264 0.88 PRKCA (0.59) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL170318 0.88 PRKCA (0.59) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL8344666 0.88 PRKCA (0.59) ALDH1A1MAPTFAAHHPGDCNR1
SCHEMBL8344879 0.88 PRKCA (0.59) ALDH1A1MAPTFAAHHPGDCNR1
Ethylene Glycol SCHEMBL26618283 0.86 PRKCA (0.56) ALDH1A1MAPTFAAHHPGDCNR1

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
WO-1991007168-A1 RIBOFLAVIN AS A TANNING ENHANCER SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 1991-05-30 WO disclosed
WO-1991007167-A1 PROTEIN KINASE ACTIVATORS AS ENHANCERS OF MELANIN PRODUCTION SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 1991-05-30 WO disclosed