SCHEMBL3213441

SCHEMBL3213441

CCCCCCCNOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.48
NAAA Q02083 2/20 0.46
LTA4H P09960 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL3229711 1.00 ZDHHC2 (0.48) ZDHHC2NAAALTA4HSIGMAR1EPHX1
SCHEMBL3222529 1.00 ZDHHC2 (0.48) ZDHHC2NAAALTA4HSIGMAR1EPHX1
SCHEMBL3229694 0.98 LTA4H (0.47) ZDHHC2NAAALTA4HSIGMAR1EPHX1
SCHEMBL3227303 0.92 LTA4H (0.47) ZDHHC2LTA4HSIGMAR1ALDH1A1HTT
Sulfuric Acid SCHEMBL27511040 0.92 ZDHHC2 (0.49) ZDHHC2NAAAEPHX1ALDH1A1HTT
SCHEMBL6114670 0.90 SOAT2 (0.47) ZDHHC2CNR1
Acetic Acid SCHEMBL7350357 0.84 HDAC3 (0.49) ZDHHC2NAAAALDH1A1HTTLMNA
SCHEMBL1033246 0.84 HTR1B (0.42) ZDHHC2LTA4HSIGMAR1DRD2SLC6A4
SCHEMBL11346924 0.83 LTA4H (0.46) LTA4HALDH1A1HTTMLNRNR1I2
SCHEMBL11357028 0.83 LTA4H (0.46) LTA4HALDH1A1HTTMLNRNR1I2

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