SCHEMBL8685606

SCHEMBL8685606

C=Cc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL5383904 0.92 DNM1 (0.40) DNM1NR1I2KCNH2MAPK1SMN1; SMN2
Cetrimonium SCHEMBL5384565 0.92 DNM1 (0.40) DNM1NR1I2KCNH2MAPK1SMN1; SMN2
SCHEMBL5274177 0.92 DNM1 (0.36) DNM1MLNRNR1I2ESR1NR3C1
SCHEMBL8994546 0.91 DNM1 (0.59) DNM1MLNRNR1I2ESR1NR3C1
SCHEMBL5912948 0.88 KCNH2 (0.41) DNM1KCNH2HTTLMNAHIF1A
SCHEMBL5912632 0.88 KCNH2 (0.41) DNM1KCNH2HTTLMNAHIF1A
Tetrabuthylammonium SCHEMBL5893071 0.88 KCNH2 (0.34) NR1I2KCNH2HTTALDH1A1LMNA
SCHEMBL8994579 0.80 C5AR1 (0.33) ESR1MAPK1ALDH1A1LMNACYP3A4
SCHEMBL9517820 0.80 NR1I2 (0.34) DNM1NR1I2ESR1
Didecyldimethylammonium SCHEMBL332030 0.78 MLNR (0.47) DNM1MLNRNR1I2ESR1NR3C1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503428-B1 Optical recording medium and method for using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1998-11-04 EP disclosed
EP-0506782-B1 ANTI-FOULING COATING COMPOSITIONS COURTAULDS COATINGS HOLDINGS (GB) 1996-08-14 EP disclosed
US-5302192-A A marine biocide and hydrolyzable film-forming seawater-erodable polymer having pendant quaternized ammonium sulfate groups; ship hulls; algicides; seaweed; barnacles COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1994-04-12 US disclosed
EP-0506782-A1 ANTI-FOULING COATING COMPOSITIONS. COURTAULDS COATINGS HOLDINGS (GB) 1992-10-07 EP disclosed
WO-1991009915-A1 ANTI-FOULING COATING COMPOSITIONS COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1991-07-11 WO disclosed