SCHEMBL3229708

SCHEMBL3229708

CCCCC(N)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
ALOX5 P09917 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
CSNK1E P49674 1/20 0.39
CNR2 P34972 1/20 0.39
SLC6A4 P31645 2/20 0.39
PTGES O14684 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC7A5 Q01650 1/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 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
SCHEMBL3229715 0.94 CSNK1E (0.45) LTA4HCSNK1ECNR2SLC6A4ALDH1A1
SCHEMBL3222538 0.93 CSNK1E (0.47) LTA4HCSNK1ECNR2SLC6A4ALDH1A1
SCHEMBL10591586 0.93 CSNK1E (0.47) LTA4HCSNK1ECNR2SLC6A4ALDH1A1
SCHEMBL3213449 0.93 CSNK1E (0.47) LTA4HCSNK1ECNR2SLC6A4ALDH1A1
SCHEMBL3227309 0.88 SLC6A4 (0.41) LTA4HPPARGPPARASLC6A4SLC7A5
Acetic Acid SCHEMBL7350375 0.80 PPARG (0.45) PPARGPPARAALDH1A1SLC7A5
SCHEMBL4453544 0.80 LTA4H (0.47) LTA4HALOX5PPARGPPARACSNK1E
SCHEMBL27225882 0.80 LTA4H (0.47) LTA4HALOX5PPARGPPARACNR2
SCHEMBL27624167 0.80 CSNK1E (0.43) LTA4HCSNK1ECNR2SLC6A4ALDH1A1
SCHEMBL3483448 0.80 SLC2A1 (0.40) LTA4HPPARACSNK1ECNR2ALDH1A1

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-2010004016-A1 USE OF PHENOXYALKYLAMINES IN COSMETIC AND/OR DERMATOLOGICAL COMPOSITIONS L'OREAL (FR) 2010-01-14 WO disclosed
CN-1948251-A Preparation method of 2,3-difluoro alkoxy benzene SHANGHAI KANGPENG CHEMICAL CO (CN) 2007-04-18 CN disclosed