SCHEMBL6311459

SCHEMBL6311459

CCN(CCCS(=O)(=O)O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.33
LTA4H P09960 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TEAD1 P28347 1/20 0.33

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
Water SCHEMBL28929336 0.97 ESR1 (0.38) ESR1CYP3A4LMNAALDH1A1TP53
SCHEMBL9631140 0.91 CYP3A4 (0.41) ESR1CYP3A4LMNAALDH1A1TP53
SCHEMBL8217171 0.87 ALDH1A1 (0.35) ESR1CYP3A4LMNAALDH1A1TP53
SCHEMBL5315630 0.82 RARA (0.41) ESR1ALDH1A1NPSR1KMT2AMEN1
Sulfuric Acid SCHEMBL9134499 0.81 KMT2A (0.42) ESR1CYP3A4LMNAALDH1A1TP53
SCHEMBL21286204 0.81 CNR2 (0.34) ESR1LMNAALDH1A1KMT2ALTA4H
SCHEMBL5500306 0.80 ESR1 (0.46) ESR1ALDH1A1POLBMAPTKMT2A
SCHEMBL242391 0.80 KMT2A (0.46) LMNAALDH1A1TSHRMAPTKMT2A
SCHEMBL25271025 0.79 ALDH1A1 (0.45) ESR1CYP3A4LMNAALDH1A1TP53
SCHEMBL30848429 0.78 KMT2A (0.45) ESR1LMNAALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110029094-A A kind of sarcosine oxidase of mutation and its application in creatinine detection 武汉生之源生物科技股份有限公司 2019-07-19 CN disclosed
CN-1227531-C Specimen having capability of separating solid component ARKRAY INC (JP) 2005-11-16 CN disclosed
CN-1628250-A Inhibitor for inhibiting adhesion of metal hydroxide-containing substance to waste liquid line of autoanalyzer KYOWA MEDEX CO LTD (JP) 2005-06-15 CN disclosed
US-6867012-B2 Determination method of biological component and reagent kit used therefor TOYO BOSEKI KABUSHIKI KAISHA (JP) 2005-03-15 US disclosed
CN-1429339-A Test piece with capability of separating solid ARKRAY INC (JP) 2003-07-09 CN disclosed
US-20020119507-A1 Determination method of biological component and reagent kit used therefor TOYO BOSEKI KABUSHIKI KAISHA (JP) 2002-08-29 US disclosed
EP-1213358-A2 Method and kit for the determination of a biological component Toyo Boseki Kabushiki Kaisha (JP) 2002-06-12 EP disclosed
US-5504006-A Enzymatic detection device for detecting a gaseous or aerosol substance DRAGERWERK AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0471940-B1 Colorimetric detecting device with a reagent storage reservoir DRAEGERWERK AG (DE) 1994-12-07 EP disclosed
EP-0374685-B1 Enzymatic detection device for gases and aerosols DRAEGERWERK AG (DE) 1994-08-10 EP disclosed
US-5312593-A Colorimetric detecting device having a reagent supply vessel DRAGERWERK AKTIENGESELLSCHAFT (DE) 1994-05-17 US disclosed
US-5215712-A Reagent layer having pigment with solubility which varies with ion concentration; detecting color developed on surface of spreading layer TERUMO KABUSHIKI KAISHA (JP) 1993-06-01 US disclosed
US-5151367-A DETECTOR FOR ENZYMATICALLY DETERMINING GAS SAMPLES DRAGERWERK AKTIENGESELLSCHAFT (DE) 1992-09-29 US disclosed
EP-0471940-A2 Colorimetric detecting device with a reagent storage reservoir Drägerwerk Aktiengesellschaft (DE) 1992-02-26 EP disclosed
EP-0374685-A2 Enzymatic detection device for gases and aerosols Drägerwerk Aktiengesellschaft (DE) 1990-06-27 EP disclosed
EP-0267247-A1 PROCESS AND REAGENT FOR DETECTING HEART LESIONS OR DISEASES Roche Diagnostics GmbH (DE) 1988-05-18 EP disclosed
WO-1987006619-A1 PROCESS AND REAGENT FOR DETECTING HEART LESIONS OR DISEASES BOEHRINGER MANNHEIM GMBH (DE) 1987-11-05 WO disclosed