SCHEMBL9427779

SCHEMBL9427779

CCOC(=O)c1ccc(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40
ERN1 O75460 1/20 0.40
PPARG P37231 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL9427686 0.91 ACHE (0.43) ACHENOD2NOD1CRHBPCRHR2
SCHEMBL9427682 0.91 ACHE (0.43) ACHENOD2NOD1CRHBPCRHR2
SCHEMBL9427847 0.85 ACHE (0.48) ACHECRHBPCRHR2PPARG
SCHEMBL9427575 0.84 ACHE (0.46) ACHECRHBPCRHR2
SCHEMBL9427691 0.83 ACHE (0.49) ACHEPPARG
SCHEMBL32675952 0.80 TSHR (0.53) NOD2NOD1LMNAMAPTNPSR1
SCHEMBL7302764 0.78 AGTR1 (0.51) PPARG
SCHEMBL9427336 0.76 AGTR1 (0.50) NOD2NOD1
SCHEMBL9427618 0.75 NOD2 (0.38) NOD2NOD1LMNAMAPTNPSR1
SCHEMBL732 0.75 PPARG (0.51) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed
US-5189048-A Hypotensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed