SCHEMBL5164271

SCHEMBL5164271

CC(C)=CCOc1ccc(CC=O)c(OCC=C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MTNR1A P48039 2/20 0.47
ALOX5 P09917 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CNR1 P21554 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
AGTR1 P30556 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45

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
SCHEMBL16166393 0.86 ALOX5 (0.43) KDM4EALDH1A1MTNR1AALOX5HPGD
SCHEMBL3897112 0.80 L3MBTL1 (0.43) KDM4EALDH1A1MTNR1AHPGDMAPT
SCHEMBL11583616 0.79 ALOX5 (0.52) KDM4EALDH1A1MTNR1AALOX5HPGD
SCHEMBL5163415 0.78 NDUFS8 (0.47) KDM4EALDH1A1MTNR1AHPGDMAPT
SCHEMBL3901893 0.77 ALOX5 (0.58) KDM4EALDH1A1MTNR1AALOX5HPGD
SCHEMBL1682636 0.76 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1LMNA
SCHEMBL6653306 0.76 MAPT (0.60) KDM4EALDH1A1MTNR1AALOX5HPGD
SCHEMBL5166899 0.75 TRPA1 (0.44) KDM4EALDH1A1MTNR1AALOX5HPGD
SCHEMBL8889572 0.75 MTNR1A (0.36) KDM4EALDH1A1MTNR1AHPGDMAPT
SCHEMBL7179024 0.73 ALDH1A1 (0.61) KDM4EALDH1A1MTNR1AALOX5HPGD

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-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