SCHEMBL7532908

SCHEMBL7532908

Cc1cccc(N(CCCCS(=O)(=O)O)CCCCS(=O)(=O)O)c1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 1/20 0.42
GPX4 P36969 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.40
GFER P55789 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5523913 1.00 ALDH1A1 (0.42) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL396919 0.98 ALDH1A1 (0.43) ALDH1A1TP53NPC1GPX4RAB9A
Ammonia Solution, Strong SCHEMBL28248232 0.97 ALDH1A1 (0.42) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL30848466 0.97 ALDH1A1 (0.42) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL29808662 0.97 ALDH1A1 (0.42) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL27960646 0.95 CYP1A2 (0.42) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL9487613 0.94 CYP1A2 (0.43) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL9360416 0.93 CYP1A2 (0.49) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL1592182 0.92 CYP1A2 (0.50) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL29540381 0.90 CYP1A2 (0.49) ALDH1A1TP53NPC1GPX4RAB9A

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-20170010290-A1 METHODS OF DETERMINING A HIGH DENSITY LIPOPROTEIN PHOSPHOLIPID LEVEL IN A SAMPLE MONROE CAPITAL MANAGEMENT ADVISORS, LLC, AS ADMINISTRATIVE AGENT 2017-01-12 US claimed
US-9828624-B2 Driving patient compliance with therapy BOSTON HEART DIAGNOSTICS CORPORATION (US) 2017-11-28 US disclosed
US-20170010290-A1 METHODS OF DETERMINING A HIGH DENSITY LIPOPROTEIN PHOSPHOLIPID LEVEL IN A SAMPLE MONROE CAPITAL MANAGEMENT ADVISORS, LLC, AS ADMINISTRATIVE AGENT 2017-01-12 US disclosed
EP-3025157-A2 DRIVING PATIENT COMPLIANCE WITH THERAPY Boston Heart Diagnostics Corporation (US) 2016-06-01 EP disclosed
EP-2900832-A1 METHODS FOR DETERMINING WHETHER A PATIENT SHOULD BE ADMINISTERED A DRUG THAT INHIBITS CHOLESTEROL ABSORPTION Boston Heart Diagnostics Corporation (US) 2015-08-05 EP disclosed
WO-2015013515-A2 DRIVING PATIENT COMPLIANCE WITH THERAPY BOSTON HEART DIAGNOSTICS CORPORATION (US) 2015-01-29 WO disclosed
US-20150031058-A1 Driving Patient Compliance with Therapy BOSTON HEART DIAGNOSTICS CORPORATION (US) 2015-01-29 US disclosed
US-20140088073-A1 METHODS FOR DETERMINING WHETHER A PATIENT SHOULD BE ADMINISTERED A DRUG THAT INHIBITS CHOLESTEROL ABSORPTION BOSTON HEART DIAGNOSTICS CORPORATION (US) 2014-03-27 US disclosed
US-6448029-B1 USING NUCLEOTIDE DIPHOSPHATE OR TRIPHOSPHATE KYOWA MEDEX CO., LTD. (JP) 2002-09-10 US disclosed
US-20020031794-A1 Method and reagent for quantitative determination of 1,5- anhydroglucitol TAZOE SAKAE (JP) 2002-03-14 US disclosed
US-6309852-B1 CONTACTING THE SAMPLE WITH AN ENZYME SUCH AS NUCLEOSIDE DIPHOSPHATE, TRIPHOSPHATE AND NUCLEOSIDE DEPENDENT ENZYMES SYSTEM WHICH CONVERTS GLUCOSE INTO FRUCTOSE 1,6-DIPHOSPHATE AND 1,5-ANHYDROGLUCITOL (1,5-AG)TO 1,5-AG-6-PHOSPHATE KYOWA MEDEX CO., LTD. (JP) 2001-10-30 US disclosed
EP-1008657-A2 Method and reagent for quantitative determination of 1,5-anhydroglucitol KYOWA MEDEX CO., LTD. (JP) 2000-06-14 EP disclosed