SCHEMBL8505378

SCHEMBL8505378

CCCCc1cc(OCc2ccc(-c3ccccc3C(=O)OC)cc2)c2ccccc2n1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.52
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
LTB4R2 Q9NPC1 1/20 0.48
DHODH Q02127 1/20 0.48
ACHE P22303 1/20 0.45
BDKRB1 P46663 1/20 0.45
BRS3 P32247 1/20 0.44

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
SCHEMBL9176783 0.94 AGTR1 (0.52) PLA2G2AAGTR1AGTR2LTB4R2DHODH
SCHEMBL9181093 0.91 AGTR1 (0.60) PLA2G2AAGTR1AGTR2
SCHEMBL8505737 0.91 DHODH (0.55) AGTR1AGTR2DHODHBRS3
SCHEMBL8501790 0.85 PLA2G2A (0.52) PLA2G2AAGTR1AGTR2LTB4R2DHODH
SCHEMBL9183186 0.85 KDM4E (0.57) AGTR1AGTR2DHODH
SCHEMBL9176806 0.85 ADAM17 (0.52) PLA2G2ADHODH
SCHEMBL9177090 0.82 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL7838473 0.82 NR1H4 (0.49) AGTR1AGTR2DHODH
SCHEMBL8501882 0.81 MAPT (0.48) PLA2G2AAGTR1AGTR2LTB4R2DHODH
Hydrochloric Acid SCHEMBL8502040 0.81 NR1H4 (0.48) AGTR1AGTR2DHODH

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-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed