SCHEMBL5452094

SCHEMBL5452094

CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TP53 P04637 2/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HTT P42858 2/20 0.62
PSMD14 O00487 1/20 0.60
HSP90AA1 P07900 1/20 0.60
MMP2 P08253 1/20 0.60
MC4R P32245 1/20 0.60
RAD52 P43351 1/20 0.60
RARB P10826 6/20 0.56
ALDH1A1 P00352 2/20 0.56
RARA P10276 1/20 0.56
MAPT P10636 1/20 0.56
MTOR P42345 1/20 0.56
TSHR P16473 1/20 0.50
PLA2G4B P0C869 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
SCHEMBL4747603 1.00 DNM1 (0.66) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL31414084 0.98 MEN1 (0.67) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL31414085 0.98 MEN1 (0.67) DNM1MEN1KMT2ATP53MAPK1
Cetalkonium SCHEMBL10584924 0.91 DNM1 (0.77) DNM1MEN1KMT2ATP53MAPK1
Acetic Acid SCHEMBL7764908 0.89 DNM1 (0.72) DNM1MEN1KMT2ATP53MAPK1
Cetalkonium SCHEMBL9460426 0.87 DNM1 (0.65) DNM1MEN1KMT2ATP53MAPK1
Cetalkonium SCHEMBL9133901 0.87 DNM1 (0.65) DNM1MEN1KMT2ATP53MAPK1
Cetalkonium SCHEMBL9460493 0.87 DNM1 (0.65) DNM1MEN1KMT2ATP53MAPK1
Cetalkonium SCHEMBL9137135 0.87 DNM1 (0.65) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL4748166 0.86 DNM1 (0.59) DNM1MEN1KMT2ATP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070269843-A1 Diagnostic Assays That Use Mycobacteriophages INTEGRATED RESEARCH TECHNOLOGY, LLC. 2007-11-22 US claimed
US-7067500-B2 Betaines as adjuvants to susceptibility testing and antimicrobial therapy INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 2006-06-27 US claimed
WO-2005116243-A2 IMPROVEMENTS TO DIAGNOSTIC ASSAYS THAT USE MYCOBACTERIOPHAGES INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 2005-12-08 WO claimed
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP claimed
EP-0980438-A4 BETAINES AS ADJUDVANTS TO SUSCEPTIBILITY TESTING AND ANTIMICROBIAL THERAPY INTEGRATED RES TECHNOLOGY LLC (US) 2004-10-27 EP claimed
US-20030104513-A1 Betaines as adjuvants to susceptibility testing and antimicrobial therapy INTEGRATED RESEARCH TECHNOLOGY, LLC 2003-06-05 US claimed
US-6406880-B1 MYCOLIC ACID STRUCTURE IN OUTER MEMBRANE, ANTIBIOTIC AND BETAINE INTEGRATED RESEARCH TECHNOLOGY, LLC 2002-06-18 US claimed
EP-0980438-A1 BETAINES AS ADJUDVANTS TO SUSCEPTIBILITY TESTING AND ANTIMICROBIAL THERAPY Integrated Research Technology, LLC (US) 2000-02-23 EP claimed
US-5985593-A DETERMINATION OF MICROORGANISM CONTAINING MYCOLIC ACID IN EXTERIOR MEMBRANE; ENZYME LYSIS INTEGRATED RESEARCH TECHNOLOGY, L.L.C. (US) 1999-11-16 US claimed
WO-1998050576-A1 BETAINES AS ADJUVANTS TO SUSCEPTIBILITY TESTING AND ANTIMICROBIAL THERAPY INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1998-11-12 WO claimed
US-6406880-B1 MYCOLIC ACID STRUCTURE IN OUTER MEMBRANE, ANTIBIOTIC AND BETAINE INTEGRATED RESEARCH TECHNOLOGY, LLC 2002-06-18 US disclosed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed