SCHEMBL8501882

SCHEMBL8501882

CCCCc1c(CO)nc2ccccc2c1OCc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
PLA2G2A P14555 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 1/20 0.44
DHODH Q02127 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL8526453 0.93 AGTR1 (0.51) AGTR1AGTR2LTB4R2DHODH
SCHEMBL8505378 0.81 PLA2G2A (0.52) AGTR1AGTR2PLA2G2ALTB4R2ACHE
SCHEMBL8501790 0.78 PLA2G2A (0.52) AGTR1AGTR2PLA2G2ALTB4R2ACHE
SCHEMBL9176783 0.77 AGTR1 (0.52) AGTR1AGTR2PLA2G2ALTB4R2DHODH
SCHEMBL8504880 0.77 AGTR1 (0.60) AGTR1AGTR2PLA2G2ALTB4R2ACHE
SCHEMBL7835618 0.77 BRS3 (0.52) AGTR1AGTR2LTB4R2DHODH
SCHEMBL8979743 0.77 AGTR1 (0.52) AGTR1AGTR2LTB4R2ACHE
SCHEMBL8501923 0.77 AGTR1 (0.50) AGTR1AGTR2PLA2G2ALTB4R2ACHE
SCHEMBL9176806 0.76 ADAM17 (0.52) PLA2G2ADHODH
SCHEMBL8584304 0.76 AGTR1 (0.49) AGTR1AGTR2PLA2G2ALTB4R2ACHE

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 1 patent. 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