SCHEMBL3897112

SCHEMBL3897112

CC(C)=CCOc1ccccc1CC=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TRPA1 O75762 1/20 0.42
MTNR1A P48039 1/20 0.42
PPARD Q03181 1/20 0.41
KDM4E B2RXH2 3/20 0.39
PPARG P37231 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
PTGES O14684 1/20 0.38
ALOX15 P16050 6/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL28479323 0.85 L3MBTL1 (0.51) L3MBTL1TRPA1MTNR1APPARDKDM4E
SCHEMBL11552066 0.84 ALDH1A1 (0.52) KDM4EALDH1A1
SCHEMBL5164271 0.80 KDM4E (0.47) TRPA1MTNR1AKDM4EPPARGALDH1A1
SCHEMBL5166899 0.79 TRPA1 (0.44) TRPA1MTNR1AKDM4EALDH1A1CYP3A4
SCHEMBL3818208 0.78 KDM4E (0.50) L3MBTL1KDM4EALDH1A1HPGDMAPK1
SCHEMBL2556550 0.78 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1MAPK1MAPT
SCHEMBL5166963 0.77 TRPA1 (0.45) TRPA1MTNR1AKDM4EALDH1A1CYP3A4
SCHEMBL4241452 0.77 ALDH1A1 (0.61) L3MBTL1TRPA1MTNR1AKDM4EPPARG
SCHEMBL637156 0.77 KDM4E (0.56) L3MBTL1KDM4EALDH1A1CASP1NPSR1
SCHEMBL3910119 0.75 TRPA1 (0.44) L3MBTL1TRPA1MTNR1AKDM4EPPARG

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
EP-1768945-B1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2009-03-18 EP claimed
EP-1768945-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES Riemser Arzneimittel AG (DE) 2007-04-04 EP claimed
WO-2006003010-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2006-01-12 WO claimed
EP-1768945-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES Riemser Arzneimittel AG (DE) 2007-04-04 EP disclosed
WO-2006003010-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2006-01-12 WO disclosed