SCHEMBL8032089

SCHEMBL8032089

Cc1ccc(OCC(O)C[N+](C)(C)C)c2sc3ccccc3c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.41
HCRTR1 O43613 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 5/20 0.40
CYP1A2 P05177 4/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
MAOA P21397 4/20 0.40
APP P05067 2/20 0.40
CHRM2 P08172 2/20 0.40
HTR1A P08908 2/20 0.40

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
Hydrochloric Acid SCHEMBL1023250 0.99 MAPT (0.40) MAPTLMNAALDH1A1POLBHCRTR1
Hydrochloric Acid SCHEMBL29991237 0.99 MAPT (0.40) MAPTLMNAALDH1A1POLBHCRTR1
SCHEMBL9412150 0.87 NSD2 (0.42) MAPTLMNAALDH1A1POLBHCRTR1
Chloromethane SCHEMBL9412215 0.85 NSD2 (0.41) MAPTLMNAALDH1A1POLBHCRTR1
SCHEMBL4324222 0.85 ALDH1A1 (0.40) MAPTLMNAALDH1A1POLBHCRTR1
Hydrochloric Acid SCHEMBL1021043 0.84 ALDH1A1 (0.40) MAPTLMNAALDH1A1POLBHCRTR1
Hydrochloric Acid SCHEMBL29381202 0.84 ALDH1A1 (0.40) MAPTLMNAALDH1A1POLBHCRTR1
SCHEMBL821151 0.81 MAPT (0.45) MAPTLMNAALDH1A1POLBHCRTR1
Hydrochloric Acid SCHEMBL29381615 0.81 MAPT (0.39) MAPTLMNAALDH1A1POLBHCRTR1
Hydrochloric Acid SCHEMBL1022456 0.81 MAPT (0.39) MAPTLMNAALDH1A1POLBHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4268791-A1 ORGANOSILICON COMPOUND AND DENTAL COMPOSITION CONTAINING SAME Kuraray Noritake Dental Inc. (JP) 2023-11-01 EP disclosed
EP-4268796-A1 DENTAL COMPOSITION Kuraray Noritake Dental Inc. (JP) 2023-11-01 EP disclosed
EP-4268795-A1 DENTAL COMPOSITION Kuraray Noritake Dental Inc. (JP) 2023-11-01 EP disclosed
EP-3108868-B1 DENTAL RESTORATIVE COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2018-10-31 EP disclosed
EP-3056188-B1 DENTAL ADHESIVE KIT KURARAY NORITAKE DENTAL INC (JP) 2018-08-08 EP disclosed
EP-3156033-A1 DENTAL ADHESIVE Kuraray Noritake Dental Inc. (JP) 2017-04-19 EP disclosed
EP-3108868-A1 DENTAL RESTORATIVE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2016-12-28 EP disclosed
EP-3056188-A1 DENTAL ADHESIVE KIT Kuraray Noritake Dental Inc. (JP) 2016-08-17 EP disclosed
EP-0985165-A1 IONIC HALOMETHYL-1,3,5-TRIAZINE PHOTOINITIATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-15 EP disclosed
US-5847133-A Ionic halomethyl-1,3,5-triazine photoinitiators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-08 US disclosed
WO-1998053369-A1 IONIC HALOMETHYL-1,3,5-TRIAZINE PHOTOINITIATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-26 WO disclosed