SCHEMBL8685609

SCHEMBL8685609

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.O=S(=O)([O-])C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.48
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL9548461 1.00 DNM1 (0.48) DNM1MLNRNR1I2ESR1NR3C1
SCHEMBL5274180 0.92 DNM1 (0.41) DNM1MLNRNR1I2ESR1NR3C1
SCHEMBL17508345 0.92 CHRNA7 (0.44) DNM1KCNH2MAPK1SMN1; SMN2MEN1
SCHEMBL8994548 0.91 DNM1 (0.63) DNM1MLNRNR1I2ESR1NR3C1
SCHEMBL8685616 0.89 DNM1 (0.48) DNM1MLNRNR1I2ESR1NR3C1
SCHEMBL9548468 0.89 DNM1 (0.48) DNM1MLNRNR1I2ESR1NR3C1
Tetrabuthylammonium SCHEMBL5893075 0.87 EGFR (0.40) ALDH1A1LMNAEGFR
SCHEMBL5274183 0.81 EGFR (0.47) DNM1MLNRNR1I2ESR1NR3C1
Tetramethylammonium Ion SCHEMBL17508346 0.80 PPARG (0.47) MAPK1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL8994582 0.79 CHRNB4 (0.43) HTTALDH1A1LMNACYP3A4HIF1A

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