SCHEMBL16784192

SCHEMBL16784192

CCCCCCCCCCCCN[C@@H](C)[C@H](O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.68
ALDH1A1 P00352 4/20 0.68
CYP2D6 P10635 3/20 0.68
CYP2C19 P33261 3/20 0.68
KMT2A Q03164 3/20 0.68
NPSR1 Q6W5P4 3/20 0.68
CHRM2 P08172 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 2/20 0.68
ALOX15 P16050 2/20 0.68
TSHR P16473 2/20 0.68
ADRA2C P18825 2/20 0.68
ADRA1A P35348 2/20 0.68
MEN1 O00255 2/20 0.68
MAPK1 P28482 2/20 0.68
CYP1A2 P05177 2/20 0.68
SLC6A4 P31645 2/20 0.68
XBP1 P17861 1/20 0.68
ABCB11 O95342 1/20 0.68
EGFR P00533 1/20 0.68

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
SCHEMBL27713482 1.00 LMNA (0.68) LMNAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL8644590 1.00 LMNA (0.68) LMNAALDH1A1CYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4931174 0.98 LMNA (0.66) LMNAALDH1A1CYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4924515 0.98 LMNA (0.66) LMNAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL4382670 0.98 LMNA (0.65) LMNAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL11299290 0.93 ALDH1A1 (0.60) LMNAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL20689721 0.93 CYP2D6 (0.58) LMNAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL20689716 0.93 CYP2D6 (0.58) LMNAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL11096043 0.87 LMNA (0.72) LMNAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL22461952 0.86 CYP2D6 (0.58) LMNAALDH1A1CYP2D6CYP2C19KMT2A

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-2015078903-A1 COSMETIC PROCESS FOR LIGHTENING THE SKIN WITH AN ANIONIC OPTICAL BRIGHTENER L'OREAL (FR) 2015-06-04 WO disclosed