SCHEMBL8359337

SCHEMBL8359337

CCCCOc1cc(-n2c(C)nc3cccc(C(=O)O)c32)ccc1-c1ccccc1-c1nc(=O)s[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.37
ALOX15 P16050 1/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE5A O76074 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL8357460 0.85 TSHR (0.38) ALOX15LMNAPDE5A
SCHEMBL8361981 0.84 PTPN11 (0.37) PTPN11DHODHALDH1A1LMNANPY1R
SCHEMBL8364421 0.81 HSD17B10 (0.34) DHODHLMNA
SCHEMBL8419029 0.81 AGTR1 (0.37) ALOX15
SCHEMBL8359536 0.80 KDM4E (0.40) ALOX15LMNA
SCHEMBL8359335 0.80 PLA2G2A (0.36) ALDH1A1PDE5A
SCHEMBL8364433 0.79 AGTR2 (0.34)
SCHEMBL8505059 0.78 AGTR2 (0.45) ALOX15LMNA
SCHEMBL8417387 0.77 PLA2G2A (0.37)
SCHEMBL8421711 0.77 AGTR1 (0.41) ALOX15LMNA

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