SCHEMBL3213449

SCHEMBL3213449

CCCCCCC(N)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
SLC2A1 P11166 1/20 0.44
LTA4H P09960 2/20 0.43
HTR2A P28223 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL10591586 1.00 CSNK1E (0.47) CSNK1ESLC2A1LTA4HHTR2AMLNR
SCHEMBL3222538 1.00 CSNK1E (0.47) CSNK1ESLC2A1LTA4HHTR2AMLNR
SCHEMBL3229715 0.98 CSNK1E (0.45) CSNK1ESLC2A1LTA4HHTR2AMLNR
SCHEMBL3229708 0.93 LTA4H (0.44) CSNK1ELTA4HHTR2AMLNRNR1I2
SCHEMBL27624167 0.87 CSNK1E (0.43) CSNK1ESLC2A1LTA4HHTR2AMLNR
SCHEMBL3483448 0.86 SLC2A1 (0.40) CSNK1ESLC2A1LTA4HALDH1A1HTT
SCHEMBL3483450 0.86 SLC2A1 (0.40) CSNK1ESLC2A1LTA4HALDH1A1HTT
SCHEMBL3227309 0.85 SLC6A4 (0.41) LTA4HMAOASLC6A4LMNASLC7A5
SCHEMBL15500085 0.84 SLC2A1 (0.46) CSNK1ESLC2A1HTT
SCHEMBL7995558 0.81 LTA4H (0.46) CSNK1ESLC2A1LTA4HHTR2AMLNR

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 1 patent. 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