SCHEMBL8501790

SCHEMBL8501790

CCCCc1cc(Cc2ccc(-c3ccccc3C(=O)OC)cc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.52
AGTR1 P30556 3/20 0.52
AGTR2 P50052 3/20 0.52
DHODH Q02127 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
ACHE P22303 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL7834869 0.90 DHODH (0.59) AGTR1AGTR2DHODH
SCHEMBL8505378 0.85 PLA2G2A (0.52) PLA2G2AAGTR1AGTR2DHODHLTB4R2
SCHEMBL7834873 0.84 DHODH (0.47) AGTR1AGTR2DHODH
SCHEMBL8504880 0.83 AGTR1 (0.60) PLA2G2AAGTR1AGTR2DHODHLTB4R2
SCHEMBL8501923 0.80 AGTR1 (0.50) PLA2G2AAGTR1AGTR2LTB4R2ACHE
SCHEMBL8671451 0.80 PLA2G2A (0.50) PLA2G2AAGTR1AGTR2DHODHLTB4R2
SCHEMBL9119796 0.80 DHODH (0.53) AGTR1AGTR2DHODH
SCHEMBL8584304 0.79 AGTR1 (0.49) PLA2G2AAGTR1AGTR2LTB4R2ACHE
SCHEMBL9176783 0.79 AGTR1 (0.52) PLA2G2AAGTR1AGTR2DHODHLTB4R2
SCHEMBL8501882 0.78 MAPT (0.48) PLA2G2AAGTR1AGTR2DHODHLTB4R2

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-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed