SCHEMBL8967232

SCHEMBL8967232

CCCCCCCCCCCC[N+](C)(C)CCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPK1 P28482 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 3/20 0.51
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49

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
Fluoride Ion SCHEMBL2395307 0.99 DNM1 (0.52) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13702211 0.89 ALDH1A1 (0.62) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
Bromide SCHEMBL11825947 0.88 ALDH1A1 (0.54) DNM1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL2457043 0.84 ALDH1A1 (0.57) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL872955 0.84 ALDH1A1 (0.57) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL3836540 0.84 ALDH1A1 (0.57) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL9802928 0.84 ALDH1A1 (0.57) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL6832768 0.84 ALDH1A1 (0.57) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL296362 0.84 ALDH1A1 (0.57) MEN1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL7564307 0.84 ALDH1A1 (0.57) MEN1KMT2AMAPK1ALDH1A1L3MBTL1

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
EP-0563265-B1 ORAL COMPOSITIONS PROCTER & GAMBLE (US) 1996-02-28 EP disclosed