SCHEMBL9427686

SCHEMBL9427686

CC=Cc1ccc(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PPARG P37231 1/20 0.38
F10 P00742 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9427682 1.00 ACHE (0.43) ACHENOD2NOD1CRHBPCRHR2
SCHEMBL9427779 0.91 ACHE (0.44) ACHENOD2NOD1CRHBPCRHR2
SCHEMBL9427847 0.83 ACHE (0.48) ACHECRHBPCRHR2PPARG
SCHEMBL9427575 0.82 ACHE (0.46) ACHECRHBPCRHR2
SCHEMBL9427707 0.77 AGTR1 (0.49) NOD2NOD1SMN1; SMN2TDP1
SCHEMBL9427712 0.77 AGTR1 (0.49) NOD2NOD1SMN1; SMN2TDP1
SCHEMBL9427691 0.74 ACHE (0.49) ACHEPPARG
SCHEMBL7299126 0.73 AGTR1 (0.59) PPARG
SCHEMBL7302764 0.73 AGTR1 (0.51) PPARG
SCHEMBL7301911 0.73 AGTR1 (0.48) ACHETDP1

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