SCHEMBL8359387

SCHEMBL8359387

CCSc1cc(-n2c(C)nc3cccc(C(=O)OC)c32)ccc1-c1ccccc1-c1nc(=O)o[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.36
ALOX15 P16050 2/20 0.35
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8357511 0.91 ALOX15 (0.35) ALOX15LMNAMAPK1HSD17B10
SCHEMBL8357513 0.87 TSHR (0.39) TSHRPOLBALOX15LMNAMAPT
SCHEMBL8357507 0.87 FGFR1 (0.34) TSHRLMNA
SCHEMBL8361952 0.83 TSHR (0.38) TSHRPOLBALOX15LMNAMAPT
SCHEMBL8364350 0.80 TSHR (0.38) TSHRPOLBALOX15LMNAMAPT
SCHEMBL8419161 0.79 ALOX15 (0.39) POLBALOX15LMNAMAPTKDM4E
SCHEMBL8587862 0.79 ALOX15 (0.37) ALOX15MAPK1HSD17B10
SCHEMBL8359536 0.79 KDM4E (0.40) ALOX15LMNAKDM4ESMN1; SMN2
SCHEMBL8587444 0.78 TSHR (0.36) TSHRPOLBALOX15LMNAKDM4E
SCHEMBL8356863 0.78 ALOX15 (0.38) TSHRALOX15LMNAMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed