SCHEMBL7313689

SCHEMBL7313689

O=[C]OCC(=O)OC12CCC(CC1)C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL11908378 0.84 CYP19A1 (0.46) CYP19A1TSHRNPSR1EPHX2CYP17A1
SCHEMBL7436688 0.77 CYP19A1 (0.35) CYP19A1TSHRNPSR1EPHX2CYP17A1
SCHEMBL11907438 0.77 CYP19A1 (0.31) CYP19A1
SCHEMBL950698 0.77 CYP19A1 (0.34) CYP19A1
SCHEMBL952639 0.75 TRPA1 (0.33) CYP19A1
SCHEMBL950229 0.75 EPHX2 (0.31) CYP19A1EPHX2
SCHEMBL2820778 0.75 CYP19A1 (0.34) CYP19A1TSHRNPSR1EPHX2CYP17A1
SCHEMBL4858292 0.75 OPRM1 (0.36) CYP19A1TSHRNPSR1EPHX2CYP17A1
SCHEMBL14480228 0.72 NPSR1 (0.31) NPSR1
SCHEMBL2963861 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP claimed
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
US-5426103-A Endopeptidase inhibitors; condensing macrocylic compound with a thioic acid or salt therof; possible esterification, salt formation, deslating, deprotecting, deesterifying of function-al groups CIBA-GEIGY CORPORATION (US) 1995-06-20 US disclosed
US-5354892-A Treating cardiovascular disorders; endopeptidase inhibitors; diuretics CIBA-GEIGY CORPORATION (US) 1994-10-11 US disclosed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed
US-5244889-A Treatment of cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-09-14 US disclosed
EP-0555175-A1 Biaryl substituted 4-amino-butyric acid amides CIBA-GEIGY AG (CH) 1993-08-11 EP disclosed
US-5217996-A Endopeptidase inhibitors CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
EP-0544620-A1 Macrocyclic lactams as inhibitors of atrial natriuretic factors (ANF)-degrading neutral endopeptidase (NEP) CIBA-GEIGY AG (CH) 1993-06-02 EP disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed