SCHEMBL5997223

SCHEMBL5997223

CCCCCCCC/C=C\CCCCCCCCC(CC(=O)O)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
TOP1 P11387 3/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
DUSP3 P51452 2/20 0.47
PTPN7 P35236 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 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
SCHEMBL11609797 0.91 TDP1 (0.40) PTPN1PPARGPPARDPPARABLM
SCHEMBL5997470 0.91 TDP1 (0.40) PTPN1PPARGPPARDPPARABLM
SCHEMBL9437219 0.91 TDP1 (0.40) PTPN1PPARGPPARDPPARABLM
SCHEMBL2455190 0.86 FABP3 (0.56) PPARGPPARDPPARAMAPTBLM
SCHEMBL3349912 0.83 FABP3 (0.46) MAPTBLMHSD17B10DUSP3GMNN
SCHEMBL5498777 0.83 ACLY (0.55) TERTPTPN1PPARGPPARDPPARA
SCHEMBL5504633 0.80 PPARG (0.55) TERTPTPN1PPARGPPARDPPARA
SCHEMBL20853667 0.80 CES2 (0.41)
SCHEMBL9227142 0.78 FFAR1 (0.32) CYP2C19CHRM1TBXA2RTDP1
SCHEMBL10711653 0.77 CES2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067500-B2 Betaines as adjuvants to susceptibility testing and antimicrobial therapy INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 2006-06-27 US disclosed
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP disclosed
US-20030104513-A1 Betaines as adjuvants to susceptibility testing and antimicrobial therapy INTEGRATED RESEARCH TECHNOLOGY, LLC 2003-06-05 US disclosed
US-6406880-B1 MYCOLIC ACID STRUCTURE IN OUTER MEMBRANE, ANTIBIOTIC AND BETAINE INTEGRATED RESEARCH TECHNOLOGY, LLC 2002-06-18 US disclosed
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 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