SCHEMBL7607076

SCHEMBL7607076

CCOC(=O)CCCc1cccc(O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
ALOX5 P09917 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7580544 0.87 CYP4F2 (0.54) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL28072636 0.82 CYP4F2 (0.58) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7722448 0.82 CYP4F2 (0.70) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL27501901 0.81 CYP4F2 (0.57) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1859513 0.77 CYP4F2 (0.78) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7604523 0.77 MGLL (0.43) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7604527 0.77 MGLL (0.43) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2135834 0.77 CYP4F2 (0.50) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8414979 0.75 CYP4F2 (0.60) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL17284798 0.74 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
CN-1304401-A Calcilytic compounds SMITHKINE BEECHAM CORP (US) 2001-07-18 CN disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed