SCHEMBL8084130

SCHEMBL8084130

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
FAAH O00519 2/20 0.41
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OXER1 Q8TDS5 3/20 0.37
MAPT P10636 3/20 0.37
CYP19A1 P11511 2/20 0.37
RXRA P19793 2/20 0.37

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
SCHEMBL7204652 1.00 ADORA3 (0.42) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL7204654 1.00 ADORA3 (0.42) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL7694874 0.90 MGAM (0.46) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL7694877 0.90 MGAM (0.46) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL28335255 0.85 NR1I2 (0.45) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL28141411 0.85 FAAH (0.53) FAAHALDH1A1MAPTLPAR2LPAR3
(Z)-Hex-3-En-1-Yl Acetate SCHEMBL28236821 0.85 NR1I2 (0.39) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL22390233 0.83 ADORA3 (0.49) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL649880 0.82 NAAA (0.47) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL22832722 0.82 ADORA3 (0.55) ADORA3NR1I2PGRPTGS2PDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000516294-A 2000-12-05 JP claimed
EP-0927238-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP claimed
WO-1998007811-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO claimed
EP-0946705-A2 DRYER ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-10-06 EP disclosed
WO-1998027192-A2 DRYER ADDED FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-06-25 WO disclosed