SCHEMBL21183309

SCHEMBL21183309

OCC(CO)Cc1ccc(N(c2ccc(CC(CO)CO)cc2)c2ccc(CC(CO)CO)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TRPA1 O75762 2/20 0.35
SLC6A4 P31645 5/20 0.34
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 2/20 0.32
ABCB11 O95342 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL8720901 0.92 KMT2A (0.47) APPMEN1KMT2ATRPA1CYP3A4
SCHEMBL19038363 0.90 APP (0.37) APPTRPA1SLC6A4ALDH1A1KDM4E
SCHEMBL21183314 0.83 MEN1 (0.38) APPMEN1KMT2ATDP1
SCHEMBL5794909 0.83 APP (0.52) APPKMT2ATRPA1CYP3A4ALDH1A1
SCHEMBL14729248 0.80 S1PR1 (0.39) APPMEN1KMT2ASLC6A4ALDH1A1
SCHEMBL13207585 0.76 TRPA1 (0.38) APPTRPA1SLC6A4ESR1ESR2
SCHEMBL9390631 0.76 TAAR1 (0.52) MEN1KMT2ACYP3A4ALDH1A1CYP1A2
SCHEMBL6153738 0.74 SLC6A4 (0.54) MEN1KMT2ASLC6A4SLC6A3LMNA
SCHEMBL2830811 0.74 APP (0.46) APPTRPA1ALOX15TAAR1
SCHEMBL16070582 0.74 CYP1A2 (0.45) APPTRPA1CYP3A4CYP1A2PMP22

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
US-20190230766-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJI XEROX CO., LTD. (JP) 2019-07-25 US disclosed