SCHEMBL1867355

SCHEMBL1867355

C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1.C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 5/20 0.43
EPAS1 Q99814 4/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.40
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
SLC7A5 Q01650 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL309150 1.00 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19HIF1AEPAS1
SCHEMBL5604863 1.00 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19HIF1AEPAS1
SCHEMBL22283484 0.90 CYP2D6 (0.45) CYP1A2CYP2D6CYP2C19HIF1AEPAS1
SCHEMBL22283486 0.90 CYP2D6 (0.45) CYP1A2CYP2D6CYP2C19HIF1AEPAS1
SCHEMBL22283451 0.88 HIF1A (0.50) CYP1A2CYP2D6CYP2C19HIF1AEPAS1
SCHEMBL28574014 0.88 HIF1A (0.43) CYP1A2HIF1AEPAS1ALOX15TSHR
SCHEMBL30136443 0.87 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19HIF1AEPAS1
SCHEMBL6889733 0.86 HIF1A (0.40) CYP1A2HIF1AEPAS1ALOX15TSHR
SCHEMBL29410313 0.85 HIF1A (0.40) CYP1A2CYP2D6CYP2C19HIF1AEPAS1
SCHEMBL15457608 0.84 ALOX15 (0.41) CYP1A2CYP2D6CYP2C19HIF1AEPAS1

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-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed