SCHEMBL8417855

SCHEMBL8417855

CCOc1cc(-n2c(C)nc3cccc(C(=O)OCOC(=O)CC)c32)ccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
AGTR2 P50052 2/20 0.34
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB3 P13945 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A2 P23975 1/20 0.32
TBXAS1 P24557 1/20 0.32
HTR2C P28335 1/20 0.32
AGTR1 P30556 1/20 0.32
PPARG P37231 1/20 0.32
HTR2B P41595 1/20 0.32
PDE3A Q14432 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
PDE5A O76074 2/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL8419566 0.94 ALOX15 (0.37) ALOX15AGTR2ABCB11EGFRERBB2
SCHEMBL8419277 0.94 ALOX15 (0.36) ALOX15AGTR2ABCB11EGFRERBB2
SCHEMBL8417957 0.94 ALOX15 (0.41) ALOX15AGTR2ABCB11EGFRERBB2
SCHEMBL8633519 0.93 ALOX15 (0.42) ALOX15AGTR2ABCB11EGFRERBB2
SCHEMBL8419294 0.93 ALOX15 (0.35) ALOX15AGTR2ABCB11EGFRERBB2
SCHEMBL8502175 0.92 ALOX15 (0.34) ALOX15AGTR2ABCB11EGFRERBB2
SCHEMBL8417658 0.90 TDP1 (0.34) ALOX15AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL8417426 0.90 TSHR (0.37) ALOX15AGTR2ABCB11EGFRERBB2
SCHEMBL8419162 0.89 KDM4E (0.34) ALOX15AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL8421156 0.89 ALOX15 (0.34) ALOX15AGTR2ABCB11EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5763619-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS OR STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-09 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed