SCHEMBL17686907

SCHEMBL17686907

NC1c2ccccc2C(C(=O)O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.42
HTR2A P28223 1/20 0.41
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
EDNRB P24530 1/20 0.38
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
ANPEP P15144 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL11527593 0.88 EDNRA (0.50) EDNRAATMLMNAEDNRBHDAC3
SCHEMBL10355854 0.88 EDNRA (0.50) EDNRAATMLMNAEDNRBHDAC3
SCHEMBL24524172 0.79 EDNRA (0.43) EDNRAATMLMNAEDNRBHDAC3
SCHEMBL8850719 0.77 HTR2A (0.60) HTR2AANPEPCYP3A4MAPTHSD17B10
Benzene SCHEMBL28538497 0.76 HDAC3 (0.59) EDNRAEDNRBHDAC3HDAC4HDAC7
SCHEMBL30001332 0.76 HDAC3 (0.59) EDNRAEDNRBHDAC3HDAC4HDAC7
SCHEMBL40500 0.76 HDAC3 (0.59) EDNRAEDNRBHDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL7052205 0.74 HDAC3 (0.57) EDNRAEDNRBHDAC3HDAC4HDAC7
Methane SCHEMBL5316271 0.74
SCHEMBL8797292 0.73 HTR2A (0.43) EDNRAHTR2AATMLMNAEDNRB

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-3207374-B1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC (US) 2021-05-12 EP disclosed
EP-3207374-B1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC (US) 2021-05-12 EP disclosed
US-9939352-B2 Method and system for determining the concentration of an analyte in a fluid sample LABCYTE, INC. (US) 2018-04-10 US disclosed
US-9939352-B2 Method and system for determining the concentration of an analyte in a fluid sample LABCYTE, INC. (US) 2018-04-10 US disclosed
US-9939352-B2 Method and system for determining the concentration of an analyte in a fluid sample LABCYTE, INC. (US) 2018-04-10 US disclosed
EP-3207374-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE Labcyte Inc. (US) 2017-08-23 EP disclosed
US-20160109336-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE, INC. 2016-04-21 US disclosed
US-20160109336-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE, INC. 2016-04-21 US disclosed
WO-2016061592-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC. (US) 2016-04-21 WO disclosed
WO-2016061592-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE INC. (US) 2016-04-21 WO disclosed
US-20160109336-A1 METHOD AND SYSTEM FOR DETERMINING THE CONCENTRATION OF AN ANALYTE IN A FLUID SAMPLE LABCYTE, INC. 2016-04-21 US disclosed